Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960897 | 1.00 | BRD4 (0.47) | BRD4MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL6961468 | 0.86 | SMN1; SMN2 (0.44) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6961473 | 0.86 | SMN1; SMN2 (0.44) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6958512 | 0.86 | CYP3A4 (0.50) | BRD4MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6954196 | 0.85 | CYP3A4 (0.50) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6954195 | 0.85 | CYP3A4 (0.50) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6961648 | 0.85 | CYP2C9 (0.53) | BRD4MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6961657 | 0.85 | CYP2C9 (0.53) | BRD4MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6961652 | 0.85 | CYP2C9 (0.53) | BRD4MAPTALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6959423 | 0.82 | CYP3A4 (0.50) | BRD4MAPTCYP3A4CYP2C9CYP2C19 |
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 |