Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13175286 | 1.00 | TYR (0.59) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL25687911 | 0.81 | TYR (0.61) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL20324104 | 0.81 | TYR (0.61) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL2662574 | 0.76 | TYR (0.55) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL13655918 | 0.76 | TYR (0.67) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL12931759 | 0.76 | TYR (0.67) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL13954354 | 0.76 | TYR (0.67) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| SCHEMBL7802093 | 0.75 | TYR (0.73) | TYRALDH1A3CYP2A6GRIA4ALDH1A1 | |
| Cuminaldehyde SCHEMBL87226 | 0.75 | TYR (1.00) | TYRALDH1A3CYP2A6ALDH1A1CYP2A13 | |
| Cuminaldehyde SCHEMBL719761 | 0.75 | TYR (1.00) | TYRALDH1A3CYP2A6ALDH1A1CYP2A13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625938-B2 | Substituted pyrazoles, compositions containing such compounds and methods of use | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | MERCK & CO., INC. (US) | 2008-05-08 | — | — | US | disclosed |
| US-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PARMEE EMMA R | 2007-04-19 | — | — | 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 (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-20070088070-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | TYR 387/4885ALDH1A3 1105/4885CYP2A6 441/4885 |
| US-20080108620-A1 | Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use | GLP1R, GCGR, GPR119 | TYR 688/4885ALDH1A3 2245/4885CYP2A6 861/4885 |
“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.