Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 5/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15266240 | 0.78 | CA9 (0.69) | CA9CA12CA1CA7CA13 | |
| SCHEMBL16345751 | 0.74 | F2RL3 (0.46) | CA9CA12CA1CA7CA13 | |
| SCHEMBL29002752 | 0.74 | MCL1 (0.65) | CA9CA12CA1CA7CA13 | |
| SCHEMBL31235941 | 0.74 | MCL1 (0.50) | CA9CA12CA1CA7CA13 | |
| SCHEMBL5813408 | 0.73 | CNR2 (0.55) | — | |
| SCHEMBL6223524 | 0.73 | CA12 (0.38) | CA9CA12CA1CA7CA13 | |
| SCHEMBL789045 | 0.73 | ALDH1A1 (0.50) | KDM4EALDH1A1CYP3A4MAPTHPGD | |
| SCHEMBL16345750 | 0.72 | F2RL3 (0.45) | CA9CA12CA1CA7CA13 | |
| SCHEMBL27794073 | 0.72 | MCL1 (0.58) | CA9CA12CA1CA7CA13 | |
| SCHEMBL5794191 | 0.72 | CA12 (1.00) | CA9CA12CA1CA7CA13 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101074222-A | 3-substituted cumarin compound, its production, medicinal composition and use | DRUG INST CHINA ACADEMY OF MED (CN) | 2007-11-21 | — | — | CN | disclosed |