Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RPLP1 | P05386 | 3/20 | 0.34 |
| ▸ | RPLP0 | P05388 | 3/20 | 0.34 |
| ▸ | RPS17 | P08708 | 3/20 | 0.34 |
| ▸ | RPSA | P08865 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11625232 | 0.84 | DRD3 (0.74) | DRD3NCOA3NPC1RAB9AKCNH2 | |
| Hydrochloric Acid SCHEMBL11623731 | 0.83 | DRD3 (0.73) | DRD3NCOA3NPC1RAB9AKCNH2 | |
| SCHEMBL11625386 | 0.82 | DRD3 (0.68) | DRD3NCOA3NPC1RAB9ACYP2A6 | |
| SCHEMBL11625964 | 0.82 | DRD3 (0.68) | DRD3NCOA3NPC1RAB9AKCNH2 | |
| SCHEMBL11624765 | 0.80 | DRD3 (0.81) | DRD3NCOA3LMNAALDH1A1 | |
| SCHEMBL24943664 | 0.75 | OPRM1 (0.46) | DRD3LMNAOPRM1ALDH1A1TDP1 | |
| SCHEMBL11623794 | 0.74 | HTR2C (0.48) | DRD3NPC1RAB9AHTR2CKCNH2 | |
| SCHEMBL26413775 | 0.70 | ALDH1A1 (0.46) | DRD3LMNAOPRM1ALDH1A1TDP1 | |
| SCHEMBL24944294 | 0.70 | NR4A1 (0.44) | DRD3MAPTOPRM1ALDH1A1HPGD | |
| SCHEMBL24944860 | 0.69 | OPRM1 (0.47) | DRD3NPC1RAB9AKCNH2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | disclosed |