Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | METAP1 | P53582 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15700140 | 0.90 | ACHE (0.56) | CYP19A1ACHEHTR1ASIGMAR1METAP1 | |
| Pyruvate SCHEMBL7525474 | 0.89 | CYP19A1 (0.53) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL8756180 | 0.83 | CYP19A1 (0.58) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL11635436 | 0.82 | CYP19A1 (0.52) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL6272342 | 0.82 | CYP19A1 (0.57) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL6307397 | 0.82 | CYP19A1 (0.59) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL11734950 | 0.82 | CYP19A1 (0.59) | CYP19A1ACHEHTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL866816 | 0.81 | METAP1 (0.67) | CYP19A1ACHEHTR1ASIGMAR1METAP1 | |
| SCHEMBL8003063 | 0.81 | METAP1 (0.71) | CYP19A1ACHEHTR1ASIGMAR1METAP1 | |
| SCHEMBL2125675 | 0.81 | METAP1 (0.71) | CYP19A1ACHEHTR1ASIGMAR1METAP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014068341-A2 | CHIRAL FLUORINATING REAGENTS | ISIS INNOVATION LIMITED (GB) | 2014-05-08 | — | — | WO | disclosed |
| US-20080103176-A1 | Substituted Hydroxyethylamines | PFIZER INC. | 2008-05-01 | — | — | US | disclosed |
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| US-6867310-B1 | Arylation and vinylation of activated carbons | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2005-03-15 | — | — | US | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |
| US-4504663-A | ANALGESIC, ANTIDEPRESSANT | DELALANDE S.A. (FR) | 1985-03-12 | — | — | US | disclosed |
| US-4431851-A | ANALGESICS, ANTIDEPRESSANTS | DELALANDE S.A. (FR) | 1984-02-14 | — | — | US | 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 (1 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-20080103176-A1 | Substituted Hydroxyethylamines | BACE1, BACE2, PSEN1 | CYP19A1 195/4885ACHE 34/4885HTR1A 40/4885 |
“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.