Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.41 |
| ▸ | WNT3A | P56704 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | CD38 | P28907 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5240723 | 0.82 | CYP1A2 (0.40) | CYP1A2CNR2AURKAAURKBCTSS | |
| SCHEMBL5240728 | 0.82 | CYP1A2 (0.40) | CYP1A2CNR2AURKAAURKBCTSS | |
| SCHEMBL5236277 | 0.80 | CYP1A2 (0.52) | CYP1A2CTNNB1WNT3ALOXL2KAT6A | |
| SCHEMBL5239743 | 0.77 | VNN1 (0.44) | CYP1A2LOXL2RPS6KB1KDRGPBAR1 | |
| SCHEMBL5239698 | 0.76 | KDR (0.38) | CYP1A2AURKAAURKBTRPV1KDR | |
| SCHEMBL5239397 | 0.74 | CNR2 (0.50) | CYP1A2CNR2LOXL2KDR | |
| SCHEMBL5239399 | 0.74 | CYP1A2 (0.46) | CYP1A2LOXL2ADORA2AADORA1 | |
| SCHEMBL5233508 | 0.74 | CNR2 (0.53) | CYP1A2CNR2KDR | |
| Bromide SCHEMBL5257264 | 0.74 | CYP1A2 (0.51) | CYP1A2CTNNB1WNT3ALOXL2NSD2 | |
| SCHEMBL5237313 | 0.72 | RAB9A (0.56) | CYP1A2LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1397364-B1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | LILLY CO ELI (US) | 2007-07-25 | — | — | EP | disclosed |