Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHAT | P28329 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL702726 | 1.00 | EGFR (0.41) | EGFRHDAC3RELAMAOBLMNA | |
| SCHEMBL702727 | 1.00 | EGFR (0.41) | EGFRHDAC3RELAMAOBLMNA | |
| SCHEMBL17783836 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL1661860 | 0.81 | NFE2L2 (0.42) | LMNA | |
| SCHEMBL17783837 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL1661834 | 0.81 | LCK (0.51) | RELAMAOBLMNATDP1SMN1; SMN2 | |
| SCHEMBL6878636 | 0.80 | RARB (0.44) | TDP1TP53MAPTL3MBTL1 | |
| SCHEMBL2978692 | 0.80 | CYP11B1 (0.47) | TDP1MAPTSMN1; SMN2NPC1L3MBTL1 | |
| SCHEMBL6878639 | 0.80 | RARB (0.44) | TDP1TP53MAPTL3MBTL1 | |
| SCHEMBL3390930 | 0.80 | CYP11B1 (0.47) | TDP1MAPTSMN1; SMN2NPC1L3MBTL1 |
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 |