Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9278675 | 0.86 | HTR1A (0.46) | HTR1AALDH1A1TDP1DRD3OPRM1 | |
| SCHEMBL20543278 | 0.86 | MEN1 (0.52) | HTR1ATDP1DRD3OPRM1DRD2 | |
| Diethylaniline SCHEMBL8037175 | 0.84 | TSHR (0.55) | HTR1AALDH1A1CYP3A4MAPTTDP1 | |
| Butane SCHEMBL28208271 | 0.84 | ALDH1A1 (0.55) | HTR1AALDH1A1KDM4ECYP1A2CYP3A4 | |
| Diethylaniline SCHEMBL9275568 | 0.82 | TSHR (0.53) | HTR1AALDH1A1CYP3A4MAPTTDP1 | |
| Bromoethane SCHEMBL2149576 | 0.81 | ALDH1A1 (0.52) | HTR1AALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL11318715 | 0.81 | TSHR (0.52) | HTR1AALDH1A1MAPTDRD3OPRM1 | |
| Hexane SCHEMBL12760845 | 0.79 | MAPT (0.50) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| Phenol SCHEMBL5875080 | 0.78 | DRD2 (0.62) | HTR1AKDM4ECYP3A4CYP2D6TDP1 | |
| SCHEMBL9289298 | 0.78 | TP53 (0.42) | HTR1AALDH1A1KDM4ECYP1A2CYP3A4 |
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-2611787-A1 | PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL | Saltigo GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| EP-2426116-B1 | Method for producing (S)-3-N-Methylamino-1-(2-thienyl)-1-propanol | SALTIGO GMBH (DE) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012028545-A1 | PROCESS FOR PREPARING (S)-3-N-METHYLAMINO-1-(2-THIENYL)-1-PROPANOL | SALTIGO GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |
| EP-2426116-A1 | Method for producing (S)-3-N-Methylamino-1-(2-thienyl)-1-propanol | Saltigo GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |