Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ATR | Q13535 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL12269983 | 0.86 | KEAP1 (0.50) | TGFBR1CCR1CCR8CYP3A4CYP2A6 | |
| SCHEMBL13680472 | 0.81 | CCR1 (0.52) | TGFBR1CCR1CCR8ALDH1A1HPGD | |
| SCHEMBL2346786 | 0.81 | RARA (0.55) | CCR1CCR8ALDH1A1HPGDKDM4E | |
| SCHEMBL13680670 | 0.81 | ALDH1A1 (0.47) | TGFBR1CCR1CCR8ALDH1A1HPGD | |
| SCHEMBL15709459 | 0.80 | ERN1 (0.47) | ALDH1A1CYP3A4HPGDTP53KDM4E | |
| SCHEMBL15349861 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HPGDTP53KDM4E | |
| SCHEMBL12270020 | 0.80 | TGFBR1 (0.50) | TGFBR1CCR1CCR8CYP2A6GRM5 | |
| Hydrochloric Acid SCHEMBL3088531 | 0.80 | RARA (0.54) | CCR1CCR8ALDH1A1HPGDKDM4E | |
| SCHEMBL29949633 | 0.80 | TGFBR1 (0.50) | TGFBR1CCR1CCR8CYP2A6GRM5 | |
| SCHEMBL3422361 | 0.78 | CCR1 (0.75) | TGFBR1CCR1CCR8ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |