Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11074855 | 0.85 | NPSR1 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11074780 | 0.83 | — | — | |
| SCHEMBL11083045 | 0.83 | CA2 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7286509 | 0.75 | KDM4E (0.47) | ALDH1A1 | |
| SCHEMBL11078370 | 0.75 | CA1 (0.44) | — | |
| SCHEMBL1286420 | 0.74 | SLC6A9 (0.46) | ALDH1A1TSHR | |
| SCHEMBL7290224 | 0.73 | LMNA (0.44) | — | |
| SCHEMBL11084757 | 0.72 | — | — | |
| SCHEMBL7286178 | 0.72 | MEN1 (0.46) | ALDH1A1 | |
| SCHEMBL11080632 | 0.72 | TSHR (0.44) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4440941-A | Aroyl-aminoacids, amides and esters thereof | USV PHARMACEUTICAL CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |