Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.54 |
| ▸ | TACR1 | P25103 | 4/20 | 0.51 |
| ▸ | TACR2 | P21452 | 3/20 | 0.51 |
| ▸ | TACR3 | P29371 | 3/20 | 0.51 |
| ▸ | CCR5 | P51681 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631187 | 0.85 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7749174 | 0.85 | TACR1 (0.52) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4631687 | 0.84 | TACR1 (0.51) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4631231 | 0.82 | TACR1 (0.53) | TACR1TACR2TACR3CCR5CHRM2 | |
| SCHEMBL4631684 | 0.82 | TACR1 (0.67) | SIGMAR1TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7750128 | 0.82 | TACR1 (0.52) | TACR1TACR2TACR3CCR5CHRM2 | |
| SCHEMBL4630788 | 0.81 | TACR3 (0.61) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7750281 | 0.81 | TACR1 (0.65) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7750278 | 0.81 | TACR1 (0.65) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7750105 | 0.81 | TACR3 (0.60) | TACR1TACR2TACR3CCR5 |
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-0807111-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1997-11-19 | — | — | EP | disclosed |