Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC5R | P33032 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | MC1R | Q01726 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6008064 | 0.88 | MC5R (0.70) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL40401 | 0.84 | CHRM2 (0.69) | MEN1KMT2ACHRM2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL6065696 | 0.82 | CHRM2 (0.67) | MEN1KMT2ACHRM2HPGDALDH1A1 | |
| SCHEMBL3626833 | 0.81 | MC5R (0.57) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL15131210 | 0.80 | MC5R (0.70) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL29582547 | 0.80 | HPGD (0.69) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL20495649 | 0.80 | HPGD (0.69) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL2865597 | 0.79 | MC5R (0.70) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL30482193 | 0.79 | MC5R (0.70) | MC5RMAPK1MC1RMEN1KMT2A | |
| SCHEMBL19664004 | 0.79 | ALDH1A1 (0.53) | MAPK1MEN1KMT2AHPGDALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5367091-A | Optical resolution of DL-3-acetylthio-2-methylpropionic acid using L-(+)-2-aminobutanol as resolving agent | MEDICHEM, S.A. (ES) | 1994-11-22 | — | — | US | disclosed |