Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL476694 | 0.84 | CYP3A4 (0.58) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| SCHEMBL6405824 | 0.81 | CYP2A6 (0.32) | ALDH1A1 | |
| SCHEMBL28859756 | 0.76 | ALDH1A1 (0.58) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| SCHEMBL7915105 | 0.76 | CYP3A4 (0.50) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| Methoxymethane SCHEMBL11527276 | 0.76 | CYP3A4 (0.50) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| SCHEMBL1326003 | 0.75 | ALDH1A1 (0.39) | CYP3A4ALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL1327423 | 0.75 | TTR (0.31) | — | |
| Oxirane SCHEMBL8886755 | 0.72 | CYP3A4 (0.46) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| SCHEMBL10679383 | 0.72 | ATM (0.58) | CYP3A4ALOX15MAOACHRM1TBXA2R | |
| SCHEMBL19390560 | 0.71 | CYP3A4 (0.41) | CYP3A4ALOX15MAOACHRM1TBXA2R |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8349222-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2013-01-08 | — | — | US | disclosed |
| US-8349222-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2013-01-08 | — | — | US | disclosed |
| US-8349222-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2013-01-08 | — | — | US | disclosed |
| US-20110278512-A1 | Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices | Northwestem University (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110278512-A1 | Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices | Northwestem University (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110278512-A1 | Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices | Northwestem University (US) | 2011-11-17 | — | — | US | disclosed |
| US-7968016-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2011-06-28 | — | — | US | disclosed |
| US-7968016-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2011-06-28 | — | — | US | disclosed |
| US-7968016-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2011-06-28 | — | — | US | disclosed |
| US-7824582-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2010-11-02 | — | — | US | disclosed |
| US-7824582-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2010-11-02 | — | — | US | disclosed |
| US-7824582-B2 | Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NORTHWESTERN UNIVERSITY (US) | 2010-11-02 | — | — | US | disclosed |
| US-20100273919-A1 | TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | NATIONAL SCIENCE FOUNDATION | 2010-10-28 | — | — | US | disclosed |
| US-20100273919-A1 | TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | NATIONAL SCIENCE FOUNDATION | 2010-10-28 | — | — | US | disclosed |
| US-20100273919-A1 | TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | NATIONAL SCIENCE FOUNDATION | 2010-10-28 | — | — | US | disclosed |
| US-20060237368-A1 | Twisted pi-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices | NATIONAL SCIENCE FOUNDATION | 2006-10-26 | — | — | US | disclosed |
| WO-2006102620-A2 | TWISTED π-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | NORTHWESTERN UNIVERSITY (US) | 2006-09-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100273919-A1 | TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES | PAX3, OPA1, LAGE3 | CYP3A4 1448/4885ALOX15 4586/4885MAOA 3131/4885 |
| US-20110278512-A1 | Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices | PAX3, OPA1, LAGE3 | CYP3A4 1448/4885ALOX15 4586/4885MAOA 3131/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.