Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | HTR2B | P41595 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BPTF | Q12830 | 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 | |
|---|---|---|---|---|
| SCHEMBL10267524 | 1.00 | HTR2C (0.48) | HTR2CHTR2BHTTNPSR1HPGD | |
| SCHEMBL12510401 | 0.95 | HTR2C (0.49) | HTR2CHTR2BHTTNPSR1HPGD | |
| SCHEMBL801827 | 0.86 | NPSR1 (0.38) | HTR2CHTR2BNPSR1HPGDMEN1 | |
| SCHEMBL801933 | 0.86 | NPSR1 (0.38) | HTR2CHTR2BNPSR1HPGDMEN1 | |
| SCHEMBL802015 | 0.84 | NPSR1 (0.39) | HTR2CHTR2BNPSR1CYP1A2GAA | |
| SCHEMBL801820 | 0.81 | NPSR1 (0.39) | HTR2CHTR2BNPSR1MAPTCYP1A2 | |
| SCHEMBL25802886 | 0.77 | KDM4E (0.53) | HTR2CHTR2BNPSR1HPGDALDH1A1 | |
| SCHEMBL805523 | 0.77 | HTT (0.49) | HTR2CHTTNPSR1HPGDALDH1A1 | |
| SCHEMBL13107378 | 0.77 | HTT (0.49) | HTR2CHTTNPSR1HPGDALDH1A1 | |
| SCHEMBL15831720 | 0.75 | HTT (0.47) | HTR2CHTTNPSR1HPGDALDH1A1 |
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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-7982037-B2 | (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-19 | — | — | US | disclosed |
| US-7691853-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-06 | — | — | US | disclosed |
| US-20090312543-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-17 | — | — | US | disclosed |
| US-7625913-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-01 | — | — | US | disclosed |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-22 | — | — | 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 (3 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-20090312543-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, AURKC, AURKA | HTR2C 1637/4885HTR2B 2626/4885HTT 3325/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | HTR2C 2651/4885HTR2B 3477/4885HTT 3896/4885 |
| US-20070270444-A1 | Pyrazole compounds useful as protein kinase inhibitors | GSK3B, CDK3, GSK3A | HTR2C 1946/4885HTR2B 3391/4885HTT 3846/4885 |
“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.