Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166028 | 0.73 | HTR4 (0.51) | CYP2D6 | |
| SCHEMBL9539487 | 0.73 | HTR3E (0.44) | CYP2D6 | |
| Hydrochloric Acid SCHEMBL9340476 | 0.72 | APEX1 (0.45) | CYP2D6 | |
| SCHEMBL858042 | 0.71 | HTR3E (0.63) | MAP2K1CNR2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7956049 | 0.70 | MAP2K1 (0.74) | MAP2K1CNR2ADORA2AMTNR1A | |
| SCHEMBL29526844 | 0.70 | MAP2K1 (1.00) | MAP2K1CNR2ADORA2AMTNR1AAXL | |
| SCHEMBL1607007 | 0.70 | MAP2K1 (1.00) | MAP2K1CNR2ADORA2AMTNR1AAXL | |
| SCHEMBL7393472 | 0.69 | HTR4 (0.58) | MAP2K1 | |
| SCHEMBL9280928 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3165607 | 0.68 | HTR3E (0.41) | CYP2D6 |
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-0662959-A1 | 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-07-19 | — | — | EP | disclosed |