Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.61 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | BCR | P11274 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | MPL | P40238 | 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 | |
|---|---|---|---|---|
| SCHEMBL6329132 | 0.90 | CYP2D6 (0.51) | KIF11ABL1BCRCYP2D6TRPV1 | |
| SCHEMBL9903935 | 0.83 | CYP2D6 (0.60) | CYP2D6 | |
| SCHEMBL19219086 | 0.81 | KIF11 (0.68) | KIF11ABL1BCRTOP1TRPV1 | |
| SCHEMBL8499115 | 0.81 | CYP2D6 (0.53) | ABL1BCRCYP2D6 | |
| SCHEMBL9525761 | 0.81 | KIF11 (0.59) | KIF11ABL1BCRCYP2D6TRPV1 | |
| SCHEMBL32681523 | 0.81 | KIF11 (0.47) | KIF11ABL1BCR | |
| SCHEMBL27415783 | 0.79 | KMO (0.55) | KDM1AMAOBMPL | |
| SCHEMBL4717327 | 0.78 | ABL1 (0.57) | KIF11ABL1BCRTOP1TRPV1 | |
| SCHEMBL29415406 | 0.78 | MAPK14 (0.57) | CYP2D6 | |
| SCHEMBL1445257 | 0.78 | MAPK14 (0.57) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |
| CN-104640867-B | Compound (I) | 会聚制药有限公司 | 2017-07-21 | — | — | CN | disclosed |
| CN-104684899-B | Substituted sulfonamide compounds | 霍夫曼-拉罗奇有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-104684899-A | Substituted sulfonamide compounds | HOFFMANN LA ROCHE | 2015-06-03 | — | — | CN | disclosed |
| CN-104640867-A | Novel compounds | CONVERGENCE PHARMACEUTICALS | 2015-05-20 | — | — | CN | disclosed |