Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 10/20 | 0.40 |
| ▸ | CNR1 | P21554 | 5/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL286404 | 0.86 | CFTR (0.42) | GABRA5BACE1PHGDHHDAC3HDAC4 | |
| SCHEMBL285903 | 0.85 | HDAC3 (0.41) | GABRA5BACE1PHGDHHDAC3HDAC4 | |
| SCHEMBL285904 | 0.85 | HDAC3 (0.41) | GABRA5BACE1PHGDHHDAC3HDAC4 | |
| SCHEMBL286330 | 0.85 | GABRA5 (0.49) | GABRA5GABRA1BACE1HDAC3HDAC4 | |
| SCHEMBL286312 | 0.84 | PHGDH (0.41) | GABRA5PHGDH | |
| SCHEMBL286154 | 0.84 | PHGDH (0.41) | GABRA5PHGDH | |
| SCHEMBL285912 | 0.84 | HDAC6 (0.44) | GABRA5KMT2ABACE1HDAC3HDAC4 | |
| SCHEMBL286288 | 0.83 | GABRA5 (0.45) | GABRA5PHGDH | |
| SCHEMBL285911 | 0.83 | GABRA5 (0.45) | GABRA5PHGDH | |
| SCHEMBL285913 | 0.83 | GABRA5 (0.45) | GABRA5PHGDH |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | claimed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | 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 (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-20100286115-A1 | PYRAZOLES | GABRA5, GABRA1, GABRA3 | GABRA5 1/4885KMT2A 3379/4885CNR2 153/4885 |
“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.