Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8888334 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8302091 | 0.83 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL9433718 | 0.82 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8887469 | 0.77 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8300301 | 0.77 | CYP2C9 (0.53) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8887366 | 0.76 | ALDH1A1 (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8304418 | 0.76 | ALDH1A1 (0.46) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8303477 | 0.75 | CYP2C9 (0.58) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8891082 | 0.75 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL8888835 | 0.75 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5620974-A | ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5366972-A | 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1994-11-22 | — | — | US | disclosed |