Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Styrene SCHEMBL9007792 | 0.80 | ALDH1A1 (0.45) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL28869856 | 0.74 | ALDH1A1 (0.46) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL29281743 | 0.74 | ALDH1A1 (0.46) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL31633218 | 0.72 | CYP1A2 (0.48) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL28066368 | 0.70 | CYP1A2 (0.44) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL2137795 | 0.70 | ALDH1A1 (0.33) | CYP1A2ALDH1A1F3HTTGAA | |
| SCHEMBL6745371 | 0.70 | ALDH1A1 (0.37) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL10632138 | 0.67 | CYP1A2 (0.52) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL63597 | 0.67 | CYP1A2 (0.52) | CYP1A2ALDH1A1F3HTTHPGD | |
| SCHEMBL28063664 | 0.67 | CYP1A2 (0.38) | CYP1A2ALDH1A1F3HTTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018894-B1 | ESTERS OF ALLETHROLONE DERIVATIVES AND CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THE COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1982-02-17 | — | — | EP | disclosed |
| EP-0029617-A1 | Use of tertiary heterocyclic amines as synergists in pesticides; derivatives of cycloamines | C.F. Spiess & Sohn GmbH & Co. Chemische Fabrik (DE) | 1981-06-03 | — | — | EP | disclosed |
| EP-0018894-A1 | Esters of allethrolone derivatives and carboxylic acids, process for their preparation and the compositions containing them | ROUSSEL-UCLAF (FR) | 1980-11-12 | — | — | EP | disclosed |