Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | UBE2M | P61081 | 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 | |
|---|---|---|---|---|
| SCHEMBL5239591 | 1.00 | AR (0.39) | ARCYP1A2CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL5235150 | 0.89 | CYP1A2 (0.40) | CYP1A2SMN1; SMN2ALDH1A1RAB9AMEN1 | |
| SCHEMBL5235146 | 0.89 | CYP1A2 (0.40) | CYP1A2SMN1; SMN2ALDH1A1RAB9AMEN1 | |
| SCHEMBL5240236 | 0.89 | CYP1A2 (0.45) | CYP1A2SMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL5240230 | 0.89 | CYP1A2 (0.45) | CYP1A2SMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL5235220 | 0.88 | KDR (0.44) | CYP1A2RAB9ADRD2KDRGAA | |
| SCHEMBL5235216 | 0.88 | KDR (0.44) | CYP1A2RAB9ADRD2KDRGAA | |
| SCHEMBL5238033 | 0.85 | MGLL (0.41) | CYP1A2CYP3A4P2RX7KDR | |
| SCHEMBL5238037 | 0.85 | MGLL (0.41) | CYP1A2CYP3A4P2RX7KDR | |
| SCHEMBL5238619 | 0.84 | KDR (0.35) | ARCYP1A2KDRNPSR1 |
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 |