Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716923 | 0.95 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL9244357 | 0.84 | XDH (0.43) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL8719631 | 0.84 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL8721477 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL2638242 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRCYP1A2MAPK1 | |
| SCHEMBL8719622 | 0.82 | RARB (0.38) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL8719510 | 0.82 | RARB (0.38) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL10339191 | 0.81 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL10339202 | 0.80 | CYP1A2 (0.43) | ALDH1A1SMN1; SMN2CYP3A4TSHRTP53 | |
| SCHEMBL5695985 | 0.78 | ADRB2 (0.47) | ALDH1A1TSHRCYP1A2CYP2D6KDM4E |
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-1651037-A1 | SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS | Symrise GmbH & Co. KG (DE) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005004601-A1 | SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS | SYMRISE GMBH & CO. KG (DE) | 2005-01-20 | — | — | WO | disclosed |