Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL819811 | 0.86 | ATM (0.43) | TSHRALDH1A1CYP2D6DRD2DRD4 | |
| SCHEMBL12964802 | 0.77 | ALDH1A1 (0.40) | KIF11TSHRLMNAALDH1A1CYP2D6 | |
| SCHEMBL11021856 | 0.75 | CYP2D6 (0.49) | KIF11CYP2D6DRD2DRD4OPRM1 | |
| SCHEMBL9632111 | 0.74 | TSHR (0.57) | KIF11TSHRLMNAALOX12ACHE | |
| SCHEMBL14276997 | 0.74 | TSHR (0.57) | KIF11TSHRLMNAALOX12ACHE | |
| SCHEMBL8671538 | 0.74 | TSHR (0.57) | KIF11TSHRLMNAALOX12ACHE | |
| SCHEMBL17833431 | 0.74 | ACHE (0.52) | KIF11ACHEALDH1A1KMT2A | |
| SCHEMBL5050252 | 0.73 | TSHR (0.40) | TSHRALDH1A1CYP2D6DRD2DRD4 | |
| SCHEMBL8998889 | 0.72 | ALDH1A1 (0.43) | KIF11LMNAALDH1A1CYP2D6MEN1 | |
| SCHEMBL20960586 | 0.72 | ALDH1A1 (0.59) | KIF11TSHRACHEALDH1A1CYP2A6 |
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-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |