Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | F2 | P00734 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29236607 | 0.84 | ALDH1A1 (0.54) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL4190714 | 0.78 | KDM4E (0.50) | ALDH1A1METAP1NPC1RAB9AL3MBTL1 | |
| SCHEMBL2569101 | 0.78 | HTR1B (0.55) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL13940266 | 0.76 | HTR1B (0.56) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL13900538 | 0.76 | DRD4 (0.62) | MAOAHTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL1953722 | 0.76 | MTNR1A (0.46) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL8725186 | 0.75 | DRD4 (0.61) | F2ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL15617823 | 0.75 | NPC1 (0.43) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL29969403 | 0.75 | HTR1A (0.45) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL29629169 | 0.74 | HTR1B (0.50) | HTR1AADRA1DADRA1AADRA1BNPC1 |
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-1021411-B1 | BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS | GLAXO GROUP LTD (GB) | 2003-03-05 | — | — | EP | disclosed |
| US-6326386-B1 | ANTICOAGULANT | GLAXO GROUP LIMITED (GB) | 2001-12-04 | — | — | US | disclosed |