Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL30434815 | 0.77 | HTT (0.55) | HTTALDH1A1TSHRKCNN4MAPT | |
| SCHEMBL6997314 | 0.76 | CYP2D6 (0.42) | ALDH1A1KCNN4MAPTATMCYP2D6 | |
| SCHEMBL10624241 | 0.76 | ALDH1A1 (0.48) | HTTALDH1A1TSHRMAPTATM | |
| SCHEMBL8660747 | 0.76 | ATM (0.56) | HTTALDH1A1TSHRATMCYP2D6 | |
| SCHEMBL2688608 | 0.75 | HTT (0.53) | HTTALDH1A1TSHRKCNN4MAPT | |
| SCHEMBL9788880 | 0.75 | HTT (0.53) | HTTALDH1A1TSHRKCNN4MAPT | |
| SCHEMBL10587153 | 0.74 | ATM (0.50) | ALDH1A1KCNN4ATMCYP2D6DRD2 | |
| Hydrochloric Acid SCHEMBL11764056 | 0.74 | HTT (0.52) | HTTALDH1A1TSHRKCNN4MAPT | |
| SCHEMBL27521805 | 0.74 | HTT (0.52) | HTTALDH1A1TSHRKCNN4MAPT | |
| SCHEMBL5779039 | 0.73 | ALDH1A1 (0.46) | HTTALDH1A1TSHRMAPTATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | claimed |
| US-5017723-A | Psychotropic Agents | JOUVEINAL S.A. (FR) | 1991-05-21 | — | — | US | disclosed |
| US-4438131-A | CARDIOVASCULAR DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 1984-03-20 | — | — | US | disclosed |
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | disclosed |