Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
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 SCHEMBL8812966 | 1.00 | KCNH2 (0.45) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL8716345 | 1.00 | KCNH2 (0.45) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL3297154 | 0.97 | KCNH2 (0.43) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL5961852 | 0.87 | ALDH1A1 (0.38) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL4339471 | 0.84 | CHRM1 (0.35) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL28133317 | 0.83 | ALDH1A1 (0.41) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL27710185 | 0.83 | TP53 (0.45) | ALDH1A1TP53TSHR | |
| SCHEMBL11315098 | 0.82 | HRH3 (0.34) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Benzenethiol SCHEMBL28174992 | 0.80 | TP53 (0.43) | KDM4EMAPTTP53TSHRLTA4H | |
| Benzenethiol SCHEMBL28328862 | 0.80 | IDO1 (0.43) | TP53TSHR |
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-5756718-A | ANALOGS OF LIPID A | EISAI CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |