Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 10/20 | 0.54 |
| ▸ | DRD3 | P35462 | 9/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17712859 | 0.89 | DRD2 (0.54) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL18488605 | 0.82 | DRD2 (0.59) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL18490903 | 0.81 | NPC1 (0.66) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL23465973 | 0.79 | NPC1 (0.62) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL4199664 | 0.76 | NPC1 (1.00) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL23465991 | 0.75 | NPC1 (0.57) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL3721766 | 0.74 | GRM5 (0.48) | NPC1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL3722888 | 0.73 | GRM5 (0.48) | MEN1KMT2ADRD2DRD3KCNH2 | |
| SCHEMBL18452689 | 0.72 | DRD2 (1.00) | DRD2DRD3KCNH2CHRM1CHRM3 | |
| SCHEMBL20463877 | 0.72 | DRD2 (1.00) | DRD2DRD3KCNH2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3331886-B1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LTD (GB) | 2020-07-15 | — | — | EP | disclosed |
| WO-2017021920-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LIMITED (GB) | 2017-02-09 | — | — | WO | disclosed |