Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
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 | 1.00 | CYP1A2 (0.40) | CYP1A2LOXL2AURKAAURKBCNR2 | |
| SCHEMBL5235891 | 0.82 | CYP1A2 (0.45) | CYP1A2LOXL2AURKAAURKBCNR2 | |
| SCHEMBL5232563 | 0.82 | LOXL2 (0.46) | CYP1A2LOXL2ADORA2AADORA1CYP3A4 | |
| SCHEMBL5232556 | 0.82 | LOXL2 (0.46) | CYP1A2LOXL2ADORA2AADORA1CYP3A4 | |
| SCHEMBL5239698 | 0.79 | KDR (0.38) | CYP1A2AURKAAURKBKDRTRPV1 | |
| SCHEMBL5235015 | 0.76 | LOXL2 (0.43) | CYP1A2LOXL2AURKAAURKBCNR2 | |
| SCHEMBL5237502 | 0.76 | LOXL2 (0.43) | CYP1A2LOXL2AURKAAURKBCNR2 | |
| SCHEMBL27517280 | 0.76 | MEN1 (0.53) | CYP1A2CNR2KAT6ACTSSADORA2A | |
| SCHEMBL5231738 | 0.76 | CNR2 (0.45) | CYP1A2LOXL2CNR2KDRFLT1 | |
| SCHEMBL5240093 | 0.76 | CNR2 (0.45) | CYP1A2LOXL2CNR2KDRFLT1 |
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 |