Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 4/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865200 | 0.86 | ESR1 (0.44) | ADRA2AADRA1AADRA1DADRA1BCYP17A1 | |
| SCHEMBL8865117 | 0.84 | SRD5A1 (0.39) | SRD5A1ADRA2AADRA1AADRA1DADRA1B | |
| SCHEMBL769063 | 0.81 | ADRA1A (0.55) | ADRA2AADRA1AADRA1DADRA1BHTR1A | |
| SCHEMBL8866491 | 0.81 | P2RX7 (0.38) | ADRA2AADRA1AADRA1DADRA1BHTR2C | |
| SCHEMBL8865285 | 0.81 | GID4 (0.50) | SRD5A1HTR2C | |
| SCHEMBL7614024 | 0.79 | ESR2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL8865538 | 0.78 | ESR2 (0.41) | — | |
| SCHEMBL8865311 | 0.78 | ALOX15 (0.51) | ADRA2AADRA1AADRA1DADRA1BCYP17A1 | |
| SCHEMBL8865423 | 0.78 | KDM4C (0.41) | KDM4C | |
| Hydrochloric Acid SCHEMBL8865276 | 0.77 | ALOX15 (0.50) | ADRA2AADRA1AADRA1DADRA1BCYP17A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5658938-A | HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS | U C B S.A. (BE) | 1997-08-19 | — | — | US | disclosed |
| EP-0717037-A1 | Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity | U C B, S.A. (BE) | 1996-06-19 | — | — | EP | disclosed |