Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.38 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7839283 | 1.00 | ATM (0.42) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7455546 | 0.87 | GRIN2B (0.41) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7455552 | 0.87 | GRIN2B (0.41) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4838301 | 0.86 | CES2 (0.43) | ATMCES2CES1ALDH1A1PTGS2 | |
| SCHEMBL4838305 | 0.86 | CES2 (0.43) | ATMCES2CES1ALDH1A1PTGS2 | |
| SCHEMBL18758907 | 0.83 | ATM (0.45) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7458795 | 0.83 | HTR3A (0.41) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7455051 | 0.83 | HTR3A (0.41) | ATMCES1SMN1; SMN2ALDH1A1HIF1A | |
| SCHEMBL7458801 | 0.83 | HTR3A (0.41) | ATMCES2CES1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7455048 | 0.83 | HTR3A (0.41) | ATMCES1SMN1; SMN2ALDH1A1HIF1A |
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-4302591-A | 1-BENZIMIDOYL-DIHYDROPYRIDINES | USV PHARMACEUTICAL CORPORATION (US) | 1981-11-24 | — | — | US | disclosed |
| US-4210551-A | IMIDOYL COMPOUND AS ACTIVATOR | FMC CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |