Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23234046 | 0.85 | GRM1 (0.43) | ALDH1A1CYP2C9CYP2C19MTORRAB9A | |
| SCHEMBL22748231 | 0.80 | POLB (0.40) | ALDH1A1CYP2C9CYP2C19MTORRAB9A | |
| SCHEMBL22748455 | 0.78 | RAB9A (0.37) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748237 | 0.75 | GRM1 (0.36) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748807 | 0.75 | GRM1 (0.36) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748456 | 0.74 | MTOR (0.36) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748457 | 0.74 | MTOR (0.36) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748764 | 0.74 | MTOR (0.36) | ALDH1A1MTORRAB9AHPGDNPSR1 | |
| SCHEMBL22748329 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19HPGD | |
| SCHEMBL1780878 | 0.71 | CA12 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020245297-A1 | PYRROLE DERIVATIVES AS ACC INHIBITORS | ALMIRALL, S.A. (ES) | 2020-12-10 | — | — | WO | disclosed |