Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL672454 | 0.88 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL27670095 | 0.77 | LCK (0.46) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL6257403 | 0.76 | ALDH1A1 (0.53) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL30646218 | 0.76 | BCAT2 (0.63) | ALDH1A1HSD17B10KDM4EGLAHPGD | |
| SCHEMBL10313316 | 0.74 | CYP1A2 (0.55) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL30892682 | 0.73 | BCAT2 (0.55) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL31621277 | 0.73 | BCAT2 (0.55) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5849850 | 0.73 | BCAT2 (0.55) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL27935140 | 0.72 | ALDH1A1 (0.47) | CYP1A2ALDH1A1HSD17B10KDM4EGLA | |
| SCHEMBL15101407 | 0.72 | GRM2 (0.50) | CYP1A2ALDH1A1KDM4EBCAT2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105492011-A | Therapeutic synergy of undesirable chemical compounds | BROWN DENNIS M | 2016-04-13 | — | — | CN | disclosed |