Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053133 | 0.77 | DRD4 (0.60) | DRD4HTR7TSHRHTR1AHRH4 | |
| SCHEMBL8000470 | 0.74 | DRD4 (0.66) | DRD4TSHRHTR1AHRH4HRH1 | |
| SCHEMBL8009072 | 0.73 | DRD4 (0.73) | DRD4HTR1AHRH4HRH1HRH2 | |
| SCHEMBL8009156 | 0.71 | DRD4 (0.67) | DRD4GRIN2BHRH4HRH1HRH2 | |
| SCHEMBL17506074 | 0.70 | GRIN2B (0.84) | GRIN2BHTR7TSHROPRL1OPRM1 | |
| SCHEMBL8009153 | 0.70 | DRD4 (0.54) | DRD4HRH4HRH1HRH2HRH3 | |
| SCHEMBL8012111 | 0.70 | DRD4 (1.00) | DRD4HRH4HRH1HRH2HRH3 | |
| Oxalic Acid SCHEMBL8011723 | 0.69 | DRD4 (0.67) | DRD4HTR1AHRH4HRH1HRH2 | |
| Trifluoroacetic Acid SCHEMBL8000064 | 0.68 | DRD4 (0.50) | DRD4HTR7HTR1AHRH4KDM4E | |
| SCHEMBL9947167 | 0.68 | GRIN2B (0.64) | GRIN2BHTR7TSHROPRL1HRH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080745-A | Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 2000-06-27 | — | — | US | disclosed |
| EP-0724572-B1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1998-12-16 | — | — | EP | disclosed |
| WO-1995007893-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1995-03-23 | — | — | WO | disclosed |