Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4512856 | 0.83 | MAOA (0.36) | ALDH1A1MAPTSMN1; SMN2HPGDMAOA | |
| SCHEMBL4518195 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL4599530 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL27697918 | 0.70 | CA12 (0.45) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL4519147 | 0.69 | MAOA (0.38) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL22347413 | 0.66 | — | — | |
| SCHEMBL29619598 | 0.65 | KDM4E (0.36) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL7782792 | 0.64 | ALDH1A1 (0.61) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.64 | CA12 (0.63) | ALDH1A1MAPTPOLBUSP2CACNA1B | |
| SCHEMBL3627757 | 0.64 | THRB (0.54) | ALDH1A1MAPTPOLBUSP2CACNA1B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264485-A1 | Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-22 | — | — | US | disclosed |
| US-20090264485-A1 | Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-22 | — | — | US | disclosed |
| US-20090264485-A1 | Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-22 | — | — | US | disclosed |
| EP-1915370-A1 | PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007017222-A1 | PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | WO | disclosed |
| WO-2007017222-A1 | PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | 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 (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-20090264485-A1 | Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents | CYP3A5, CYP3A43, CYP3A7 | ALDH1A1 128/4885MAPT 3508/4885POLB 1987/4885 |
“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.