Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 6/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL985673 | 0.88 | PNMT (0.63) | CD44PNMTMAOBHTR2CHTR2B | |
| SCHEMBL28345077 | 0.87 | TSHR (0.48) | HTR2CTSHRMAPTALOX15HSD17B10 | |
| SCHEMBL28370547 | 0.87 | TSHR (0.52) | CD44PNMTMAOBHTR2CTSHR | |
| SCHEMBL29373532 | 0.87 | TSHR (0.52) | CD44PNMTMAOBHTR2CTSHR | |
| SCHEMBL24119 | 0.87 | TSHR (0.52) | CD44PNMTMAOBHTR2CTSHR | |
| SCHEMBL379799 | 0.87 | CD44 (0.52) | CD44PNMTMAOBHTR2CALOX15 | |
| SCHEMBL6887634 | 0.87 | CD44 (0.52) | CD44PNMTMAOBHTR2CALOX15 | |
| SCHEMBL18320611 | 0.85 | PNMT (0.47) | CD44PNMTMAOBHTR2CALOX15 | |
| Hydrochloric Acid SCHEMBL7002945 | 0.85 | CD44 (0.50) | CD44PNMTMAOBHTR2CALOX15 | |
| SCHEMBL4504383 | 0.85 | TSHR (0.50) | HTR2CTSHRMAPTALOX15HSD17B10 |
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-1019383-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 2000-07-19 | — | — | EP | disclosed |
| WO-1997024336-A2 | PROCESS FOR THE AMINOCARBONYLATION OF BENZAZEPINES AND BENZODIAZEPINES | SMITHKLINE BEECHAM PLC (GB) | 1997-07-10 | — | — | WO | disclosed |