Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326164 | 0.85 | ALDH1A1 (0.59) | CYP1A1CYP1B1ALDH1A1CYP3A4HPGD | |
| SCHEMBL22106546 | 0.78 | ALDH1A1 (0.50) | CYP1A1CYP1B1ALDH1A1CYP3A4HPGD | |
| SCHEMBL17178251 | 0.78 | CYP11B1 (0.50) | CYP3A4CYP11B1CYP11B2HPGDCYP1A2 | |
| SCHEMBL6405824 | 0.77 | CYP2A6 (0.32) | ALDH1A1 | |
| SCHEMBL15120000 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDCYP1A2CRHR1 | |
| SCHEMBL11527273 | 0.74 | CYP3A4 (0.56) | CYP1A1CYP1B1ALDH1A1CYP3A4HPGD | |
| SCHEMBL17178258 | 0.74 | CYP1A1 (0.44) | CYP1A1CYP1B1ALDH1A1CYP3A4HPGD | |
| SCHEMBL22106309 | 0.73 | GAA (0.44) | CYP1A1CYP1B1ALDH1A1CYP3A4HPGD | |
| SCHEMBL1326003 | 0.71 | ALDH1A1 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL1327423 | 0.71 | TTR (0.31) | — |
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 | CYP1A1 3514/4885CYP1B1 3615/4885ALDH1A1 4309/4885 |
| US-20110278512-A1 | Twisted Pi-Electron System Chromophore Compounds with Very Large Molecular Hyperpolarizabilities and Related Compositions and Devices | PAX3, OPA1, LAGE3 | CYP1A1 3514/4885CYP1B1 3615/4885ALDH1A1 4309/4885 |
“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.