Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL8716349 | 0.82 | KCNH2 (0.45) | HRH3ALDH1A1CHRM2HTR1AADRA2A | |
| Benzenethiol SCHEMBL8812966 | 0.82 | KCNH2 (0.45) | HRH3ALDH1A1CHRM2HTR1AADRA2A | |
| Benzenethiol SCHEMBL8716345 | 0.82 | KCNH2 (0.45) | HRH3ALDH1A1CHRM2HTR1AADRA2A | |
| Benzenethiol SCHEMBL3297154 | 0.80 | KCNH2 (0.43) | HRH3ALDH1A1CHRM2HTR1AADRA2A | |
| SCHEMBL63173 | 0.78 | — | — | |
| SCHEMBL11638767 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP3A4KDM4EMAPK1MAPT | |
| SCHEMBL28581942 | 0.74 | IDO1 (0.38) | ALDH1A1CYP3A4RECQLLMNAACHE | |
| Benzene SCHEMBL10711738 | 0.74 | IDO1 (0.38) | ALDH1A1CYP3A4MAPTMEN1RECQL | |
| SCHEMBL27763288 | 0.74 | HRH3 (0.42) | HRH3ALDH1A1CYP3A4CHRM2HTR1A | |
| SCHEMBL4978628 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ADRA2AMAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4278674-A | ANTIBACTERIAL ANTIBIOTICS | SANDOZ LTD. (CH) | 1981-07-14 | — | — | US | disclosed |
| US-4208326-A | ANTIBIOTICS | SANDOZ LTD. (CH) | 1980-06-17 | — | — | US | disclosed |
| US-4107164-A | ANTIBIOTICS, ANTIBACTERIAL | SANDOZ LTD. (CH) | 1978-08-15 | — | — | US | disclosed |
| US-4032530-A | ANTIBIOTICS | SANDOZ LTD. (CH) | 1977-06-28 | — | — | US | disclosed |