Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8888334 | 0.88 | CYP3A4 (0.42) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8300301 | 0.86 | CYP2C9 (0.53) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8887366 | 0.85 | ALDH1A1 (0.48) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL9433718 | 0.85 | CYP2C9 (0.42) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8303477 | 0.84 | CYP2C9 (0.58) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8891082 | 0.84 | ALDH1A1 (0.47) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8888835 | 0.84 | ALDH1A1 (0.47) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8887469 | 0.84 | ALDH1A1 (0.47) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8887675 | 0.83 | CYP3A4 (0.39) | ALDH1A1POLBLMNAADORA3MAPK1 | |
| SCHEMBL8889454 | 0.83 | ALDH1A1 (0.46) | ALDH1A1POLBLMNAADORA3MAPK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0429987-B1 | 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) | 1999-03-17 | — | — | EP | claimed |
| US-5620974-A | ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-04-15 | — | — | US | claimed |
| EP-0429987-A2 | 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) | 1991-06-05 | — | — | EP | claimed |
| EP-0429987-B1 | 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) | 1999-03-17 | — | — | EP | disclosed |
| 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 |
| EP-0429987-A2 | 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) | 1991-06-05 | — | — | EP | disclosed |