Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7030588 | 0.77 | MCL1 (0.52) | ALDH1A1HTTLIPGHTR2AHTR2C | |
| SCHEMBL6497695 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HTR2AMEN1KMT2AKDM4E | |
| SCHEMBL7038582 | 0.65 | HTR2C (0.48) | ALDH1A1HTR2AHTR2CMCL1TDP1 | |
| SCHEMBL7034581 | 0.65 | PTGDR2 (0.38) | ALDH1A1LIPGHTR2AHTR2CMCL1 | |
| SCHEMBL6492932 | 0.63 | MEN1 (0.46) | MEN1KMT2A | |
| SCHEMBL6493228 | 0.63 | PTGDR2 (0.47) | MEN1KMT2A | |
| SCHEMBL6850299 | 0.61 | KDM4E (0.38) | HTR2BTDP1MEN1KMT2AKDM4E | |
| SCHEMBL7680290 | 0.61 | NOTUM (0.33) | MCL1 | |
| SCHEMBL7676778 | 0.60 | HTR2C (0.37) | ALDH1A1HTR2AHTR2CMCL1 | |
| SCHEMBL7679724 | 0.60 | HTR2A (0.36) | HTR2AHTR2CMCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1173440-B1 | TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS | UPJOHN CO (US) | 2004-09-15 | — | — | EP | claimed |