Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.52 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.52 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9066312 | 0.83 | ALDH1A1 (0.93) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| SCHEMBL314267 | 0.83 | ALDH1A1 (0.93) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| SCHEMBL24209375 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| SCHEMBL18972862 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL1074283 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL28491203 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL28180817 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL30536983 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL30537001 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 | |
| Benzophenone SCHEMBL6061130 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SRD5A2L3MBTL1ATMTDP1 |
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 |