Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7300461 | 0.89 | CHRM1 (0.56) | CHRM1CTRB1MMECYP2D6POLB | |
| SCHEMBL7294887 | 0.84 | HSD17B10 (0.56) | CHRM1CTRB1MMECYP2D6POLB | |
| SCHEMBL7306998 | 0.84 | CTRB1 (0.57) | CTRB1MMECYP2D6POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL7295971 | 0.83 | HSD17B10 (0.54) | CHRM1CTRB1MMECYP2D6POLB | |
| SCHEMBL7295820 | 0.82 | CTRB1 (0.58) | CTRB1MMEPOLB | |
| SCHEMBL7298078 | 0.82 | KDM4E (0.59) | ALDH1A1CHRM1CTRB1MMECYP2D6 | |
| SCHEMBL7302437 | 0.81 | CTRB1 (0.57) | CTRB1MMEPOLB | |
| SCHEMBL7298921 | 0.81 | POLB (0.69) | CTRB1MMEPOLBCYP3A4CYP2C9 | |
| SCHEMBL7298793 | 0.80 | CHRM1 (0.58) | CHRM1CTRB1MMECYP2D6POLB | |
| SCHEMBL7305166 | 0.80 | CYP3A4 (0.51) | CHRM1CTRB1MMECYP2D6POLB |
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-0465369-B1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL UCLAF (FR) | 1994-04-13 | — | — | EP | disclosed |
| EP-0465369-A1 | N-substituted derivatives of alpha-mercapto alkylamines, process for their preparation and intermediates obtained, their use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1992-01-08 | — | — | EP | disclosed |