Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.80 |
| ▸ | ESR1 | P03372 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5142252 | 0.93 | CYP19A1 (0.74) | CYP19A1ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8934551 | 0.90 | VKORC1 (0.66) | CYP19A1ESR1ALDH1A1CA1CA2 | |
| SCHEMBL14428676 | 0.90 | CYP19A1 (0.68) | CYP19A1ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL13183965 | 0.89 | CYP19A1 (0.67) | CYP19A1ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL13183975 | 0.83 | ESR1 (0.68) | CYP19A1ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9957161 | 0.83 | CYP19A1 (0.62) | CYP19A1ESR1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL5146155 | 0.82 | CYP19A1 (0.65) | CYP19A1ESR1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5428058 | 0.82 | CYP19A1 (0.81) | CYP19A1ESR1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL7117813 | 0.82 | ALDH1A1 (0.64) | CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7117556 | 0.82 | ALDH1A1 (0.67) | CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | disclosed |