Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14099507 | 0.82 | ADORA3 (0.37) | SMN1; SMN2ADORA3ADORA2AADORA1HTR1A | |
| SCHEMBL8417601 | 0.82 | TTR (0.36) | TTRCES1NPC1TP53MAPT | |
| SCHEMBL12060497 | 0.80 | BRPF1 (0.43) | BRD4ALDH1A1HTTADORA3ADORA2A | |
| SCHEMBL8790761 | 0.73 | TTR (0.50) | TTRCES1BRD4ALDH1A1DRD2 | |
| SCHEMBL24440815 | 0.73 | ADORA3 (0.33) | ADORA3ADORA2AADORA1HTR1AHTR2A | |
| SCHEMBL12059732 | 0.73 | NPC1 (0.51) | CES1NPC1TP53MAPTRAB9A | |
| SCHEMBL8304689 | 0.72 | ALDH1A1 (0.52) | TTRCES1NPC1MAPTRAB9A | |
| SCHEMBL585349 | 0.72 | TDP1 (0.42) | CES1TP53MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL27027255 | 0.71 | HTR2C (0.42) | SMN1; SMN2DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL18635357 | 0.71 | CYP11B2 (0.44) | DRD2ADORA3ADORA2AADORA1 |
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 1 patent. 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 |