Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21799526 | 0.82 | TAAR1 (0.50) | LMNAALDH1A1TAAR1AOC3APAF1 | |
| SCHEMBL13970878 | 0.81 | LMNA (0.46) | LMNAALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL12228438 | 0.81 | LMNA (0.46) | LMNAALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL476492 | 0.81 | LMNA (0.46) | LMNAALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL23374780 | 0.79 | TRPA1 (0.47) | LMNAALDH1A1KDM4ETAAR1AOC3 | |
| SCHEMBL7412823 | 0.79 | CYP3A4 (0.41) | LMNAALDH1A1TSHRTAAR1AOC3 | |
| Hydrochloric Acid SCHEMBL20446671 | 0.79 | LMNA (0.45) | LMNAALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL2847032 | 0.78 | LMNA (0.52) | LMNAALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL10426294 | 0.78 | HTT (0.50) | LMNAKDM4EHPGDCYP2D6MEN1 | |
| SCHEMBL13911223 | 0.78 | SIGMAR1 (0.48) | LMNAALDH1A1KDM4EHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1577294-A1 | S-SUBSTITUTED N-1- (HETERO)ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHYSIOLOGICALLY ACTIVE S-SUBSTITUTED N-1- (HETERO )ARYL ALKYL-N - (HETERO)ARYL ALKYLYSOTHIOCARBAMIDES,A PHARMACEUTICAL COMPOUND AND CURING METHOD | Institut Fiziologicheski Aktivnykh Veschestv Rossiyskov Akademii Nauk (RU) | 2005-09-21 | — | — | EP | disclosed |