Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 7/20 | 0.36 |
| ▸ | BCL2 | P10415 | 2/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7308723 | 0.90 | PKM (0.43) | ALDH1A1MCL1BCL2GPR84ALB | |
| SCHEMBL7320366 | 0.84 | ADORA3 (0.35) | ALDH1A1MCL1BCL2ALBPKM | |
| SCHEMBL7315475 | 0.80 | PKM (0.44) | ALDH1A1PKMHTTNLRP3P2RY12 | |
| SCHEMBL7312087 | 0.79 | MCL1 (0.39) | ALDH1A1MCL1BCL2ALBHTT | |
| SCHEMBL7317051 | 0.75 | PDE3B (0.50) | ALDH1A1HTTP2RY12HSD11B1 | |
| SCHEMBL7307849 | 0.75 | KCNH2 (0.47) | ALDH1A1GPR84P2RY12 | |
| SCHEMBL7316056 | 0.74 | PDE3B (0.41) | ALDH1A1MCL1BCL2ALBTRPV1 | |
| SCHEMBL7316412 | 0.73 | MCL1 (0.34) | ALDH1A1MCL1BCL2GPR84ALB | |
| SCHEMBL7316415 | 0.73 | MCL1 (0.36) | ALDH1A1MCL1BCL2BCL2L1ALB | |
| SCHEMBL7311127 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4277479-A | ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-07-07 | — | — | US | disclosed |