Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6330677 | 0.85 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL9191753 | 0.82 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL9191755 | 0.82 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL24965070 | 0.82 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL1865053 | 0.79 | CES1 (0.47) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL7462953 | 0.77 | ALDH1A1 (0.44) | CYP3A4ALDH1A1CYP2C9CYP2C19CES1 | |
| SCHEMBL27903266 | 0.75 | CA12 (0.51) | CYP3A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27903265 | 0.75 | CA12 (0.51) | CYP3A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27903264 | 0.75 | CA12 (0.51) | CYP3A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10793317 | 0.74 | CYP3A4 (0.46) | CYP3A4ALDH1A1CYP2C9CYP2C19MMP8 |
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-0287605-A1 | AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1988-10-26 | — | — | EP | disclosed |
| WO-1988002363-A1 | AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE M (FR) | 1988-04-07 | — | — | WO | disclosed |