Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9251206 | 0.86 | CYP3A4 (0.42) | PAMALDH1A1CYP3A4KDM4EHSD17B10 | |
| SCHEMBL28302207 | 0.78 | CYP4F2 (0.53) | CYP2D6CYP3A4KDM4ETDP1LMNA | |
| SCHEMBL7964070 | 0.77 | GABBR2 (0.59) | PAMPTGS2ALOX5CYP2C9 | |
| SCHEMBL5146748 | 0.77 | PTGS1 (0.63) | PAMCYP2D6CYP3A4KDM4EMAPT | |
| SCHEMBL23832889 | 0.76 | PAM (0.57) | PAMALDH1A1CYP2D6ALOX15HDAC1 | |
| SCHEMBL4631529 | 0.74 | CYP3A4 (0.63) | ALDH1A1ALOX15CYP3A4KDM4EHSD17B10 | |
| SCHEMBL4631536 | 0.74 | CYP3A4 (0.63) | ALDH1A1ALOX15CYP3A4KDM4EHSD17B10 | |
| SCHEMBL1616362 | 0.73 | PAM (0.70) | PAMALDH1A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL9502575 | 0.73 | PAM (0.70) | PAMALDH1A1CYP2D6CYP3A4KDM4E | |
| SCHEMBL582727 | 0.72 | PAM (1.00) | PAMALDH1A1CYP2D6ALOX15MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912407-A | A kind of 2,2- dimethyl -4-(3,4,5- trihydroxy phenyl) -3-butenoic acid compound | 株洲千金药业股份有限公司 | 2019-06-21 | — | — | CN | claimed |