Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6980885 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL6980888 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL20121503 | 0.84 | BRD4 (0.37) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL7802124 | 0.81 | CHRM2 (0.41) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL4180049 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL18940653 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL18940588 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL4180050 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL29767891 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 | |
| SCHEMBL25596228 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP2D6CHRM2CHRM4 |
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-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |