Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | HPGD | P15428 | 7/20 | 0.56 |
| ▸ | CA9 | Q16790 | 6/20 | 0.56 |
| ▸ | GLA | P06280 | 6/20 | 0.56 |
| ▸ | GAA | P10253 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | CA12 | O43570 | 5/20 | 0.56 |
| ▸ | CASP1 | P29466 | 2/20 | 0.56 |
| ▸ | CASP7 | P55210 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 5/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1102259 | 0.83 | CA9 (0.62) | ALDH1A1KDM4EHPGDCA9GLA | |
| SCHEMBL22501677 | 0.78 | CA9 (0.69) | ALDH1A1KDM4EHPGDCA9GLA | |
| SCHEMBL17885121 | 0.75 | ALDH1A1 (0.63) | ALDH1A1KDM4EHPGDCA9GLA | |
| Trifluoroacetic Acid SCHEMBL14844336 | 0.74 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDCA9GLA | |
| Hymecromone SCHEMBL28882003 | 0.74 | KDM4E (0.87) | ALDH1A1KDM4EHPGDCA9GLA | |
| Hymecromone SCHEMBL7594956 | 0.74 | KDM4E (0.87) | ALDH1A1KDM4EHPGDCA9GLA | |
| SCHEMBL19988139 | 0.73 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDCA9GLA | |
| SCHEMBL27230974 | 0.73 | CA9 (0.49) | ALDH1A1KDM4EHPGDCA9GLA | |
| SCHEMBL27231073 | 0.73 | CA9 (0.49) | ALDH1A1KDM4EHPGDCA9GLA | |
| Acetic Acid SCHEMBL3998167 | 0.73 | ALDH1A1 (0.84) | ALDH1A1KDM4EHPGDCA9GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0174477-B1 | MEANS AND METHOD FOR DETERMINING ANTIMICROBIAL-ACTIVEN SUBSTANCES | MERCK PATENT GmbH (DE) | 1988-03-30 | — | — | EP | disclosed |
| EP-0174477-A1 | Means and method for determining antimicrobial-activen substances | MERCK PATENT GmbH (DE) | 1986-03-19 | — | — | EP | disclosed |