Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19219011 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL11305937 | 0.85 | THRB (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL11317850 | 0.85 | THRB (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL11310624 | 0.85 | THRB (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL11311608 | 0.85 | THRB (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL2264989 | 0.85 | PSIP1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL2054700 | 0.82 | TDP1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL23977164 | 0.80 | CYP2C9 (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL8666666 | 0.80 | HSD17B10 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19ALDH3A1 | |
| SCHEMBL8092429 | 0.80 | CA2 (0.60) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2A6 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899294-B1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2015-03-18 | — | — | EP | disclosed |
| US-8163956-B2 | Inhibitors of GLYT1 transporters | MERCK SHARP & DOHME CORP. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163956-B2 | Inhibitors of GLYT1 transporters | MERCK SHARP & DOHME CORP. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163956-B2 | Inhibitors of GLYT1 transporters | MERCK SHARP & DOHME CORP. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090286765-A1 | Therapeutic Agents | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2009-11-19 | — | — | US | disclosed |
| US-20090286765-A1 | Therapeutic Agents | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2009-11-19 | — | — | US | disclosed |
| US-20090286765-A1 | Therapeutic Agents | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2009-11-19 | — | — | US | disclosed |
| EP-1899294-A1 | THERAPEUTIC AGENTS | Merck Sharp & Dohme Limited (GB) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007114902-A2 | ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS | H.LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |
| WO-2006134341-A1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |
| WO-2006134341-A1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |
| US-4396553-A | Tetrahydronaphthalene and indane compounds useful as anti-tumor agents | HOFFMANN-LA ROCHE INC. (US) | 1983-08-02 | — | — | 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-20090286765-A1 | Therapeutic Agents | GRIA1, GRIN1, GLRA1 | ALDH1A1 652/4885CYP3A4 1695/4885CYP2C9 2463/4885 |
“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.