Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | MAPK7 | Q13164 | 3/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | DCLK1 | O15075 | 2/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8547811 | 0.86 | MTOR (0.42) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8547631 | 0.81 | CYP3A4 (0.39) | BRD4 | |
| SCHEMBL8304233 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8305521 | 0.77 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL12427418 | 0.75 | ALDH1A1 (0.51) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8548089 | 0.73 | ALDH1A1 (0.41) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL13915889 | 0.70 | ALDH1A1 (0.63) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8706414 | 0.68 | PARP1 (0.34) | ALDH1A1LMNAPOLBBRD4MAPK7 | |
| SCHEMBL8546643 | 0.67 | CYP3A4 (0.42) | BRD4MAPK7DCLK1LRRK2 | |
| SCHEMBL8709305 | 0.67 | CYP3A4 (0.40) | BRD4 |
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-0745083-B1 | 2-HETEROARYL-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) | 1998-05-20 | — | — | EP | claimed |
| US-5837704-A | PREVENTION OR TREATMENT OF AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0745083-B1 | 2-HETEROARYL-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) | 1998-05-20 | — | — | EP | disclosed |