Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157268 | 1.00 | RAB9A (0.47) | RAB9ALMNAHRH3CYP2C9NR5A1 | |
| SCHEMBL9156586 | 0.97 | RAB9A (0.49) | RAB9ALMNAHRH3CYP2C9CRBN | |
| SCHEMBL9156597 | 0.97 | RAB9A (0.49) | RAB9ALMNAHRH3CYP2C9CRBN | |
| SCHEMBL9158533 | 0.92 | RAB9A (0.43) | RAB9AHRH3CYP2C9HTR1ADRD2 | |
| SCHEMBL9158544 | 0.92 | RAB9A (0.43) | RAB9AHRH3CYP2C9HTR1ADRD2 | |
| SCHEMBL9157447 | 0.86 | NQO1 (0.42) | — | |
| SCHEMBL9157441 | 0.86 | NQO1 (0.42) | — | |
| SCHEMBL9766712 | 0.85 | SPHK1 (0.40) | RAB9ALMNAHRH3CYP2C9S1PR3 | |
| SCHEMBL9156757 | 0.85 | RAB9A (0.40) | RAB9ALMNAHRH3CYP2C9NR5A1 | |
| SCHEMBL9158847 | 0.85 | SPHK1 (0.40) | RAB9ALMNAHRH3CYP2C9S1PR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |