Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682085 | 0.82 | SIGMAR1 (0.48) | SIGMAR1MAOATDP1MAOBHTR2A | |
| SCHEMBL8325572 | 0.78 | SIGMAR1 (0.47) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL29029777 | 0.78 | MAOA (0.50) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL1487691 | 0.78 | MAOB (0.48) | SIGMAR1MAOB | |
| SCHEMBL10991606 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOATDP1MAOBHTR2A | |
| SCHEMBL9347969 | 0.77 | MAOB (0.45) | SIGMAR1MAOATDP1MAOBHTR2A | |
| SCHEMBL6686320 | 0.76 | MAOA (0.52) | SIGMAR1MAOATDP1MAOB | |
| SCHEMBL1128437 | 0.75 | SIGMAR1 (0.46) | SIGMAR1MAOATDP1KCNH2ADRA1A | |
| Bromide SCHEMBL10928757 | 0.75 | SIGMAR1 (0.50) | SIGMAR1MAOAMAOBHTR2AKCNH2 | |
| SCHEMBL1678945 | 0.74 | GRIK1 (0.54) | ALDH1A1HPGDGRIK1HDAC3MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2399585-A1 | Boronic acids and esters as inhibitors of fatty acid amide hydrolase | Infinity Pharmaceuticals, Inc. (US) | 2011-12-28 | — | — | EP | disclosed |