Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8555827 | 0.87 | MTNR1A (0.56) | ALDH1A1HPGDMAPK1CYP3A4MTNR1A | |
| SCHEMBL2814704 | 0.87 | CA12 (0.49) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL2811677 | 0.86 | KDM4E (0.49) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL2813714 | 0.82 | NPSR1 (0.45) | ALDH1A1HPGDMAPK1CYP3A4MTNR1A | |
| SCHEMBL7208283 | 0.81 | CLK1 (0.52) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL1324265 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP3A4NPSR1HTT | |
| SCHEMBL10983397 | 0.79 | MAPT (0.42) | ALDH1A1HPGDMAPK1CYP3A4MTNR1A | |
| SCHEMBL7208275 | 0.79 | KDM4E (0.48) | ALDH1A1HPGDMTNR1AMTNR1BNPSR1 | |
| SCHEMBL10982579 | 0.78 | NPSR1 (0.41) | ALDH1A1HPGDMAPK1MTNR1AMTNR1B | |
| SCHEMBL497770 | 0.77 | CYP2A6 (0.44) | ALDH1A1CYP3A4HTTTSHRRXFP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1274706-A1 | PYRAZOLES FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2003-01-15 | — | — | EP | disclosed |
| US-6462069-B2 | KINASE INHIBITORS; ANTICANCER AGENTS | AGOURON PHARMACEUTICALS, INC. | 2002-10-08 | — | — | US | disclosed |
| WO-2001079198-A9 | PYRAZOLES FOR INHIBITING PROTEIN KINASE | AGOURON PHARMA (US) | 2002-05-16 | — | — | WO | disclosed |
| US-20020006952-A1 | Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases | LIGHPOINTE COMMUNICATION, INC. | 2002-01-17 | — | — | US | disclosed |
| WO-2001079198-A1 | PYRAZOLES FOR INHIBITING PROTEIN KINASE | AGOURON PHARMACEUTICALS, INC. (US) | 2001-10-25 | — | — | 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-20020006952-A1 | Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases | CDK3, CCNK, CDK1 | ALDH1A1 3414/4885HPGD 1189/4885MAPK1 125/4885 |
“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.