Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | APLNR | P35414 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10265478 | 0.79 | RAB9A (0.48) | RAB9ANPC1CES2CES1HDAC1 | |
| SCHEMBL4572039 | 0.77 | — | — | |
| SCHEMBL497126 | 0.77 | — | — | |
| SCHEMBL4568004 | 0.77 | — | — | |
| SCHEMBL10205473 | 0.77 | — | — | |
| SCHEMBL28738208 | 0.77 | KMT2A (0.67) | RAB9ANPC1CES2CES1HDAC1 | |
| SCHEMBL4572089 | 0.77 | RAB9A (0.47) | RAB9ANPC1CES2CES1HDAC1 | |
| SCHEMBL27494199 | 0.77 | TSHR (0.64) | RAB9ANPC1HDAC1KMT2AGAA | |
| Hydrochloric Acid SCHEMBL9046846 | 0.76 | KMT2A (0.65) | RAB9ANPC1CES2CES1HDAC1 | |
| Hydrochloric Acid SCHEMBL499167 | 0.76 | GAA (0.47) | RAB9ANPC1CES2CES1HDAC1 |
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-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | 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 |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | 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 (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 | RAB9A 3125/4885NPC1 1462/4885CES2 1024/4885 |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | RAB9A 3125/4885NPC1 1462/4885CES2 1024/4885 |
“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.