Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5237961 | 1.00 | CYP1A2 (0.38) | CYP1A2TGFBR1IDO1FAAHALDH1A1 | |
| SCHEMBL5240531 | 0.88 | CYP1A2 (0.38) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5234860 | 0.88 | TGFBR1 (0.39) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5240528 | 0.88 | CYP1A2 (0.38) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5234868 | 0.88 | TGFBR1 (0.39) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5239257 | 0.87 | CYP1A2 (0.41) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5239266 | 0.87 | CYP1A2 (0.41) | CYP1A2TGFBR1FAAHALDH1A1KDM4E | |
| SCHEMBL5231407 | 0.86 | CYP1A2 (0.39) | CYP1A2FAAHALDH1A1KDM4ELMNA | |
| SCHEMBL5231418 | 0.86 | CYP1A2 (0.39) | CYP1A2FAAHALDH1A1KDM4ELMNA | |
| SCHEMBL5232157 | 0.86 | THRB (0.42) | CYP1A2TGFBR1FAAHALDH1A1KDM4E |
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 |