Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.61 |
| ▸ | CES1 | P23141 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.57 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.57 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | PLK1 | P53350 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1659309 | 0.87 | HPGD (0.73) | CES2CES1CA1CA2HPGD | |
| SCHEMBL30527863 | 0.84 | CES2 (0.64) | CES2CES1CA1CA2HPGD | |
| SCHEMBL9557243 | 0.84 | CES2 (0.48) | CES2CES1CA1CA2HPGD | |
| SCHEMBL10049412 | 0.83 | CA1 (0.59) | CES2CES1CA1CA2HPGD | |
| SCHEMBL286256 | 0.83 | CES2 (0.57) | CES2CES1CA1CA2HPGD | |
| SCHEMBL5858910 | 0.83 | HPGD (0.62) | CES2CES1CA1CA2HPGD | |
| SCHEMBL29194225 | 0.82 | CA1 (0.59) | CES2CES1CA1CA2HPGD | |
| SCHEMBL6806574 | 0.82 | HSD17B1 (0.65) | CES2CES1CA1CA2HPGD | |
| SCHEMBL8464944 | 0.81 | CES2 (0.59) | CES2CES1CA1CA2HPGD | |
| Hydrochloric Acid SCHEMBL11685997 | 0.80 | CA1 (0.57) | CES2CES1CA1CA2HPGD |
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-4386053-A | IMPREGNATION OF SUBSTRATE WITH ORGANIC PEROXIDE, CHROMOGEN, BUFFER AND STABILIZER | TERUMO CORPORATION (JP) | 1983-05-31 | — | — | US | disclosed |