Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15659282 | 0.81 | CA1 (0.41) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL145464 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL15659746 | 0.79 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL29402267 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL487160 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL15658799 | 0.77 | MEN1 (0.36) | ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL8722448 | 0.76 | NQO2 (0.38) | ALDH1A1KDM4EMAPK1SMN1; SMN2TSHR | |
| Methyl Alcohol SCHEMBL28303521 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A | |
| SCHEMBL15660285 | 0.75 | HDAC4 (0.36) | ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA | |
| SCHEMBL10666469 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPK1SMN1; SMN2SCN4A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696304-A | REACTING CONJUGATED ALKADIENOL WITH WATER USING PALLADIUM CATALYST IN LOW BOILING REACTION SOLVENT, THEN DISTILLATION | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-12-09 | — | — | US | disclosed |
| EP-0605735-B1 | PROCESS FOR PRODUCING ALKADIENOL | MITSUBISHI CHEM CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5600034-A | HEAT TREATING DIALLYL ETHERS IN PRESENCE OF CATALYST CONTAINING PALLADIUM AND PHOSPHORUS COMPOUNDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-02-04 | — | — | US | disclosed |
| US-5557016-A | HYDROXYLATION OF CONJUGATED ALKADIENES IN THE PRESENCE OF PALLADIUM CATALYSIS | MITSUBISHI KASEI CORPORATION (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0605735-A1 | PROCESS FOR PRODUCING ALKADIENOL | Mitsubishi Chemical Corporation (JP) | 1994-07-13 | — | — | EP | disclosed |