Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.34 |
| ▸ | S100A10 | P60903 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL2944523 | 0.78 | SIRT1 (0.45) | ALDH1A1HPGDKDM4EMAPTMAOA | |
| SCHEMBL125522 | 0.77 | CYP3A4 (0.58) | PDE7AALDH1A1KDM4EMAPTCYP3A4 | |
| SCHEMBL29436321 | 0.77 | CYP3A4 (0.58) | PDE7AALDH1A1KDM4EMAPTCYP3A4 | |
| SCHEMBL3036031 | 0.76 | HTR2C (0.52) | PDE7AALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL1100943 | 0.75 | CYP3A4 (0.55) | PDE7AALDH1A1KDM4EMAPTCYP3A4 | |
| Benzene SCHEMBL28782155 | 0.75 | CYP3A4 (0.55) | PDE7AALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL8531787 | 0.74 | CYP2C9 (0.49) | PDE7AHPGDCYP2C9CYP2C19SLC6A2 | |
| SCHEMBL1098809 | 0.73 | ANXA2 (0.55) | PDE7AALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL17527013 | 0.73 | PDE7A (0.49) | PDE7AALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL8534213 | 0.73 | SIRT1 (0.56) | PDE7AALDH1A1HPGDKDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0859757-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | Farmak A.S. (CZ) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997017325-A1 | DERIVATES OF N,N-DIMETHYL-2-(ARYLTHIO)BENZYLAMINE, THEIR SALTS, METHODS OF PREPARATION AND THEIR USE IN PHARMACEUTICAL MEDICAMENTS | FARMAK A.S. (CZ) | 1997-05-15 | — | — | WO | disclosed |