Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27254982 | 0.85 | HTT (0.49) | CYP1A2CYP2D6HTTTBXAS1SMN1; SMN2 | |
| SCHEMBL11065549 | 0.85 | ALDH1A1 (0.43) | HTR1ADRD2CYP1A2CYP2D6CHRNA7 | |
| Ethylene SCHEMBL10688858 | 0.84 | HTR1A (0.40) | HTR1ADRD2CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL537992 | 0.81 | MEN1 (0.48) | HTR1ADRD2ALDH1A1HTTTDP1 | |
| Bromide SCHEMBL9225776 | 0.80 | ABCB1 (0.46) | CYP1A2CYP2D6ALDH1A1HTTTDP1 | |
| SCHEMBL29485692 | 0.76 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL724866 | 0.76 | CHRNA7 (0.74) | CYP1A2CYP2D6CHRNA7CYP2A6HRH4 | |
| SCHEMBL28480379 | 0.75 | CYP1A2 (0.53) | HTR1ADRD2CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL21154743 | 0.75 | CYP1A2 (0.53) | HTR1ADRD2CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL6226352 | 0.75 | CHRNA7 (0.56) | HTR1ADRD2CYP1A2CYP2D6CHRNA7 |
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-4745120-A | CARDIOYASCULAR DISORDERS, ANTICOAGULANTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |