Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.37 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL23851296 | 0.87 | MTNR1A (0.52) | TGFBR1MTNR1AMTNR1B | |
| SCHEMBL31461239 | 0.87 | MTNR1A (0.52) | TGFBR1MTNR1AMTNR1B | |
| SCHEMBL4873486 | 0.86 | SMN1; SMN2 (0.47) | TGFBR1TP53MTNR1AMTNR1B | |
| SCHEMBL5239692 | 0.84 | TGFBR1 (0.41) | TGFBR1BRAFKDRMAP3K20DHODH | |
| SCHEMBL24322279 | 0.83 | CDK8 (0.39) | TGFBR1DHODH | |
| SCHEMBL3747756 | 0.81 | ALDH1A1 (0.39) | TGFBR1TP53CYP3A4KDRPTGFR | |
| SCHEMBL31461243 | 0.81 | ALDH1A1 (0.39) | TGFBR1TP53CYP3A4KDRPTGFR | |
| SCHEMBL5235225 | 0.80 | CYP1A2 (0.49) | TGFBR1CYP3A4 | |
| SCHEMBL29959459 | 0.80 | CYP1A2 (0.49) | TGFBR1CYP3A4 | |
| SCHEMBL5235795 | 0.80 | KDR (0.45) | TGFBR1MTNR1AMTNR1BRETKDR |
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 |