Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HTR2A | P28223 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | HRH1 | P35367 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11717525 | 0.86 | DRD2 (0.44) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11817058 | 0.86 | ALDH1A1 (0.43) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11720508 | 0.86 | AHR (0.43) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11701390 | 0.83 | KMT2A (0.48) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11718611 | 0.79 | GAA (0.40) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11485548 | 0.79 | HTR2A (0.52) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11721149 | 0.77 | ACHE (0.40) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11698380 | 0.77 | HTR2A (0.49) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL11704617 | 0.76 | HTR2A (0.49) | ALDH1A1HTR2ALMNADRD2OPRM1 | |
| SCHEMBL9676178 | 0.76 | TRPM8 (0.50) | ALDH1A1LMNAOPRM1KDM4EMEN1 |
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-4054572-A | Hexahydro pyridine [1,2d] dibenza [b,f] (1,4)-diazepines | AKZONA INCORPORATED (US) | 1977-10-18 | — | — | US | disclosed |
| US-4016161-A | Amino-substituted 1,2,3,4,10,146-hexahydro-pyridino[1,2-a]dibenzo[c,f]azepines | AKZONA INCORPORATED (US) | 1977-04-05 | — | — | US | disclosed |
| US-3966723-A | 1,2,3,4,10,14B-Hexahydro-pyridino[1,2-a]-dibenzo[c,f]-azepine | AKZONA INCORPORATED (US) | 1976-06-29 | — | — | US | disclosed |