Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5233274 | 0.86 | CYP1A2 (0.55) | CYP1A2ALDH1A1HPGDLOXL2CYP3A4 | |
| SCHEMBL5236988 | 0.84 | CYP1A2 (0.49) | CYP1A2ALDH1A1LOXL2CYP3A4CYP2D6 | |
| SCHEMBL5235225 | 0.84 | CYP1A2 (0.49) | CYP1A2ALDH1A1LOXL2TGFBR1MAPK14 | |
| SCHEMBL4872415 | 0.84 | CYP1A2 (0.49) | CYP1A2ALDH1A1LOXL2TGFBR1CYP3A4 | |
| SCHEMBL29959459 | 0.84 | CYP1A2 (0.49) | CYP1A2ALDH1A1LOXL2TGFBR1MAPK14 | |
| SCHEMBL5235242 | 0.83 | CYP1A2 (0.46) | CYP1A2ALDH1A1LOXL2TGFBR1MAPK14 | |
| SCHEMBL29959944 | 0.82 | CYP1A2 (0.47) | CYP1A2ALDH1A1HPGDLOXL2TGFBR1 | |
| SCHEMBL5234356 | 0.82 | CYP1A2 (0.47) | CYP1A2ALDH1A1HPGDLOXL2TGFBR1 | |
| SCHEMBL4872056 | 0.81 | CYP1A2 (0.55) | CYP1A2ALDH1A1LOXL2MAPK9HTT | |
| SCHEMBL5231886 | 0.81 | MGAM (0.53) | CYP1A2ALDH1A1LOXL2CYP3A4CYP2D6 |
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-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2004026302-A1 | METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |