Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL29222704 | 0.75 | ADRA2A (0.40) | CYP3A4KDM4EALDH1A1MAPTCYP1A2 | |
| SCHEMBL30543399 | 0.75 | ADRA2A (0.40) | CYP3A4KDM4EALDH1A1MAPTCYP1A2 | |
| SCHEMBL7608467 | 0.75 | HTR6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7608217 | 0.74 | HTR6 (0.30) | — | |
| SCHEMBL8865283 | 0.72 | KDM4E (0.38) | KDM4EALDH1A1 | |
| SCHEMBL31414398 | 0.71 | CYP3A4 (0.58) | CYP3A4ELANEMPOMAPTMETAP1 | |
| SCHEMBL17607328 | 0.70 | ALDH1A1 (0.42) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL31546885 | 0.68 | NPC1 (0.53) | CYP3A4KDM4EALDH1A1MAPTCYP1A2 | |
| SCHEMBL2202915 | 0.68 | NPC1 (0.47) | KDM4EALDH1A1MAPTDYRK1A | |
| SCHEMBL29248715 | 0.68 | MPO (0.47) | CYP3A4MPOKDM4EALDH1A1MAPT |
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 |