Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10087892 | 0.80 | GRIN2D (0.62) | MAOAMAOBNISCHESR1ESR2 | |
| SCHEMBL8862948 | 0.80 | CYP3A4 (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL27834814 | 0.79 | GRIN2D (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13200763 | 0.79 | KDM4E (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8308573 | 0.79 | GRIN2D (0.67) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8862553 | 0.79 | CYP1A2 (0.43) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL8862777 | 0.78 | CYP3A4 (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6813229 | 0.76 | GAA (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7824760 | 0.76 | GAA (0.50) | CYP2C9CYP2C19GAATHRBKDM4E | |
| SCHEMBL7824762 | 0.76 | GAA (0.50) | CYP2C9CYP2C19GAATHRBKDM4E |
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-1935887-B1 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMA INC (US) | 2010-01-13 | — | — | EP | disclosed |