Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | PDE8B | O95263 | 1/20 | 0.49 |
| ▸ | NPBWR1 | P48145 | 8/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3356641 | 0.84 | NPBWR1 (0.49) | KMT2AF2PDE8BNPBWR1KDM4E | |
| SCHEMBL28664688 | 0.84 | NPBWR1 (0.56) | KMT2AF2PDE8BNPBWR1KDM4E | |
| SCHEMBL1801455 | 0.81 | NPBWR1 (0.54) | NPBWR1GLAGAAKDM4EALDH1A1 | |
| SCHEMBL164239 | 0.81 | TSHR (0.59) | KMT2AGAAKDM4EALDH1A1HPGD | |
| SCHEMBL2185591 | 0.80 | NPBWR1 (0.45) | KMT2APDE8BNPBWR1GLAGAA | |
| SCHEMBL1491119 | 0.80 | TSHR (0.67) | KMT2ANPBWR1GLAGAAKDM4E | |
| SCHEMBL22632875 | 0.79 | NPBWR1 (0.52) | NPBWR1GLAGAAMCHR1CYP1A2 | |
| SCHEMBL30515984 | 0.79 | PDE8B (0.46) | KMT2AF2PDE8BNPBWR1GLA | |
| SCHEMBL29063941 | 0.79 | PDE8B (0.46) | KMT2AF2PDE8BNPBWR1GLA | |
| SCHEMBL16784437 | 0.78 | NPBWR1 (0.51) | NPBWR1GLAGAAKDM4EALDH1A1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9694012-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9694012-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| EP-2964646-B1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-19 | — | — | EP | disclosed |
| EP-2964646-B1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-19 | — | — | EP | disclosed |
| US-20170035769-A1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-09 | — | — | US | disclosed |
| US-20170035769-A1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-09 | — | — | US | disclosed |
| US-9512132-B2 | Pyrazole compounds as CB2 agonists | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-9512132-B2 | Pyrazole compounds as CB2 agonists | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-9512132-B2 | Pyrazole compounds as CB2 agonists | HOFFMANN-LA ROCHE INC. (US) | 2016-12-06 | — | — | US | disclosed |
| EP-2964639-A1 | PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS | Purdue Pharma LP (US) | 2016-01-13 | — | — | EP | disclosed |
| EP-2964646-A1 | NOVEL PYRAZOL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| US-20150376192-A1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-31 | — | — | US | disclosed |
| US-20150376192-A1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-31 | — | — | US | disclosed |
| US-20150376192-A1 | NOVEL PYRAZOL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2015-12-31 | — | — | US | disclosed |
| WO-2014135507-A1 | NOVEL PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |
| WO-2014135955-A1 | PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2014-09-12 | — | — | WO | disclosed |
| WO-2014135507-A1 | NOVEL PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | 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-20150376192-A1 | NOVEL PYRAZOL DERIVATIVES | CYP3A43, ADRB3, UGT1A3 | KMT2A 4109/4885F2 183/4885PDE8B 1348/4885 |
| US-20170035769-A1 | NOVEL PYRAZOL DERIVATIVES | CYP3A43, ADRB3, UGT1A3 | KMT2A 4109/4885F2 183/4885PDE8B 1348/4885 |
“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.