Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5177097 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19SMN1; SMN2TAAR1 | |
| SCHEMBL6682429 | 0.79 | ESR1 (0.40) | CYP2C9CYP2C19TAAR1CHRM2CHRM1 | |
| SCHEMBL8761330 | 0.71 | SLC6A2 (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| SCHEMBL3225215 | 0.71 | ESR1 (0.39) | CYP2C9CYP2C19TAAR1CHRM2CHRM1 | |
| SCHEMBL1234779 | 0.71 | SMN1; SMN2 (0.49) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| Hydrochloric Acid SCHEMBL9482275 | 0.70 | SLC6A2 (0.52) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| SCHEMBL1234777 | 0.70 | SMN1; SMN2 (0.43) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| SCHEMBL8760163 | 0.69 | CYP3A4 (0.67) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| SCHEMBL4552971 | 0.68 | TAAR1 (0.52) | CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A | |
| SCHEMBL158683 | 0.67 | ESR1 (0.51) | CYP2C9CYP2C19CHRM2CHRM1CHRM3 |
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-1476439-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | Degussa AG (DE) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003070720-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | DEGUSSA AG (DE) | 2003-08-28 | — | — | WO | disclosed |