Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10305127 | 0.82 | ADORA2A (0.40) | CHRM1ADORA2AADORA2BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4213336 | 0.81 | ADORA2A (0.39) | CHRM1ADORA2AADORA2BCYP3A4CYP2C19 | |
| SCHEMBL17449937 | 0.81 | NAAA (0.43) | ALDH1A1CHRM1ADORA2AADORA2BDPP4 | |
| SCHEMBL13957560 | 0.78 | ADORA2A (0.35) | ALDH1A1HTTCHRM1ADORA2AADORA2B | |
| SCHEMBL14477815 | 0.78 | MAPK1 (0.40) | ALDH1A1HTTCHRM1ADORA2AADORA2B | |
| SCHEMBL14477818 | 0.76 | ADORA2A (0.38) | ALDH1A1HTTCHRM1ADORA2AADORA2B | |
| SCHEMBL13374275 | 0.74 | MAPK1 (0.42) | ALDH1A1CHRM1ADORA2AADORA2BMMP1 | |
| Hydrochloric Acid SCHEMBL4202259 | 0.73 | MAPK1 (0.41) | ALDH1A1CHRM1ADORA2AADORA2BMMP1 | |
| SCHEMBL13374278 | 0.73 | ADORA2A (0.42) | ALDH1A1HTTCHRM1ADORA2AADORA2B | |
| Hydrochloric Acid SCHEMBL4205613 | 0.72 | ADORA2A (0.41) | ALDH1A1HTTCHRM1ADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008011485-A2 | METHODS FOR TREATING CHRONIC PAIN | ALLERGAN, INC. (US) | 2008-01-24 | — | — | WO | disclosed |