Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT6A | Q92794 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.44 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5232145 | 0.83 | RAF1 (0.40) | KAT6AKDRRAF1LCKRET | |
| SCHEMBL5232140 | 0.83 | RAF1 (0.40) | KAT6AKDRRAF1LCKRET | |
| SCHEMBL5233508 | 0.82 | CNR2 (0.53) | KDRCYP1A2BRAFMAPK14TNNI3K | |
| SCHEMBL5231753 | 0.80 | CYP1A2 (0.53) | CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL29987166 | 0.78 | CYP1A2 (0.61) | CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL5239658 | 0.78 | CYP1A2 (0.61) | CYP3A4CYP1A2MEN1KMT2A | |
| SCHEMBL5234876 | 0.78 | CYP1A2 (0.49) | KDRCYP1A2MEN1KMT2A | |
| SCHEMBL27515586 | 0.77 | TRPV1 (0.45) | KDRRAF1LCKRETCYP3A4 | |
| SCHEMBL5238033 | 0.77 | MGLL (0.41) | KDRRAF1LCKRETCYP3A4 | |
| SCHEMBL5238037 | 0.77 | MGLL (0.41) | KDRRAF1LCKRETCYP3A4 |
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 |