Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | DRD1 | P21728 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.45 |
| ▸ | PRNP | P04156 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5865535 | 0.73 | KMT2A (0.45) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL8095239 | 0.72 | MAOA (0.58) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL8089788 | 0.70 | MAOA (0.56) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL15553296 | 0.70 | ITGB2 (0.59) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL39172 | 0.67 | KMT2A (0.52) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL29376932 | 0.67 | KMT2A (0.52) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| Iodide SCHEMBL11442732 | 0.66 | KMT2A (0.51) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL9724496 | 0.66 | MAOA (0.46) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL15229632 | 0.66 | BCHE (0.49) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A | |
| SCHEMBL7341247 | 0.66 | KDM1A (0.59) | KDM1ACYP2D6SIGMAR1CHRM2HTR1A |
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-5104858-A | Administering trans-flupenthiyol with doxorubicin; lack of antipsychotic activity reduces side effects | YALE UNIVERSITY (US) | 1992-04-14 | — | — | US | disclosed |