Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 3/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5643377 | 0.92 | L3MBTL1 (0.38) | PIK3CDPDE1APDE1BPDE1CKDM4E | |
| SCHEMBL5642859 | 0.89 | PDE1A (0.35) | PIK3CDPDE1APDE1BPDE1CKDM4E | |
| SCHEMBL5641792 | 0.87 | FLT1 (0.33) | PDE1APDE1BPDE1C | |
| SCHEMBL5641589 | 0.85 | PDE1A (0.33) | PDE1APDE1BPDE1C | |
| SCHEMBL5640684 | 0.84 | ALDH1A1 (0.38) | PDE1APDE1BPDE1CKDM4EMAPT | |
| SCHEMBL5641435 | 0.83 | NPC1 (0.37) | PIK3CDALDH1A1RAB9AGRM5CYP2C19 | |
| SCHEMBL5244657 | 0.81 | FLT1 (0.37) | ALDH1A1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL5639650 | 0.81 | MBOAT4 (0.34) | NPSR1TDP1MBOAT4MEN1KMT2A | |
| SCHEMBL5640690 | 0.80 | RECQL (0.33) | — | |
| SCHEMBL5640374 | 0.80 | MEN1 (0.35) | PDE1APDE1BPDE1CMAPTALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | claimed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | claimed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | claimed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | claimed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | claimed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | 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 (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-20040192752-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | PIK3CD 431/4885PDE1A 2956/4885PDE1B 2947/4885 |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | PIK3CD 431/4885PDE1A 2956/4885PDE1B 2947/4885 |
“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.