Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6963415 | 0.82 | GRM5 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL6964250 | 0.79 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6964377 | 0.79 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6959500 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6964617 | 0.75 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2PARK7 | |
| SCHEMBL6964877 | 0.74 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL6965703 | 0.73 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL6963214 | 0.73 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6964677 | 0.72 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6965776 | 0.72 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0767172-B1 | 8-Arylalkyl- and 8-arylheteroalkyl-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 PHARMA (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5705499-A | VIRICIDES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| EP-0767172-A1 | 8-Arylalkyl- and 8-arylheteroalkyl-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) | 1997-04-09 | — | — | EP | disclosed |