Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2688503 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HSD17B10KDM4ETSHR | |
| Acetic Acid SCHEMBL7951725 | 0.73 | KDM4E (0.36) | KDM4ETDP1TSHR | |
| SCHEMBL7948082 | 0.72 | KDM4E (0.38) | KDM4ETDP1TSHR | |
| SCHEMBL9685057 | 0.72 | TSHR (0.36) | ALDH1A1CYP3A4KDM4ETDP1TSHR | |
| SCHEMBL7948080 | 0.72 | KDM4E (0.38) | KDM4ETDP1TSHR | |
| SCHEMBL7951724 | 0.69 | KDM4E (0.30) | ALDH1A1KDM4ETSHR | |
| SCHEMBL8495041 | 0.68 | FABP3 (0.49) | ALDH1A1CYP3A4HSD17B10KDM4ETSHR | |
| SCHEMBL23057886 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HSD17B10KDM4EPPARA | |
| SCHEMBL29974504 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HSD17B10KDM4EPPARA | |
| SCHEMBL8069856 | 0.66 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSD17B10TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001096277-A1 | METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYL MANDELIC ACID AND 2,3,4,6-TETRAMETHYL MANDELIC ACID ACETATE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | disclosed |
| WO-2001096277-A1 | METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYL MANDELIC ACID AND 2,3,4,6-TETRAMETHYL MANDELIC ACID ACETATE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | disclosed |