Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 10/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8337979 | 0.91 | ALDH1A1 (0.39) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8338684 | 0.83 | ADORA3 (0.40) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8338051 | 0.76 | ALDH1A1 (0.46) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8417616 | 0.73 | KDM4E (0.34) | BRD4ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8417601 | 0.68 | TTR (0.36) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8340761 | 0.64 | KDM4E (0.38) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8418964 | 0.64 | KDM4E (0.40) | ADORA3ADORA2AADORA1BRD4ALDH1A1 | |
| SCHEMBL8417074 | 0.63 | AKT1 (0.37) | KDM4EHKDC1 | |
| SCHEMBL8417200 | 0.63 | KDM4E (0.33) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL8299628 | 0.63 | BRD4 (0.45) | BRD4ALDH1A1CES1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5908841-A | 5,11-dihydro-6H-dipyrido 3,2-b:2',3'-e!azepine-6-ones and their use in the prevention of treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-06-01 | — | — | US | disclosed |
| WO-1999007380-A1 | 5,11-DIHYDRO-6H-DIPYRIDO[3,2-b:2',3'-e] AZEPIN-6-ONES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-02-18 | — | — | WO | disclosed |