Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 10/20 | 0.36 |
| ▸ | HRH1 | P35367 | 4/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TKT | P29401 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20749293 | 0.80 | SIRT2 (0.33) | TKTSIRT2 | |
| SCHEMBL18256087 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HRH2HRH1HRH4CYP1A2 | |
| SCHEMBL8931356 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRHRH2HRH1 | |
| SCHEMBL10282389 | 0.78 | HRH2 (0.39) | ALDH1A1HPGDTSHRHRH2HRH1 | |
| SCHEMBL7910237 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HRH2HRH1HRH4CYP1A2 | |
| SCHEMBL8931384 | 0.69 | ALDH1A1 (0.40) | ALDH1A1HPGDTSHR | |
| SCHEMBL11150044 | 0.69 | ALDH1A1 (0.53) | ALDH1A1HPGDTSHRCYP1A2 | |
| Acetic Acid SCHEMBL941257 | 0.68 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHR | |
| SCHEMBL261442 | 0.67 | SRC (0.47) | HRH2HRH1HRH4CYP1A2TKT | |
| SCHEMBL263398 | 0.67 | ALDH1A1 (0.45) | ALDH1A1HRH2HRH1HRH4CYP1A2 |
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-3443959-A1 | SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN | Bio-Pharm Solutions Co., Ltd. (KR) | 2019-02-20 | — | — | EP | disclosed |