Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.59 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA3 | P07451 | 3/20 | 0.58 |
| ▸ | CA4 | P22748 | 3/20 | 0.58 |
| ▸ | CA6 | P23280 | 3/20 | 0.58 |
| ▸ | CA5A | P35218 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.58 |
| ▸ | MMP2 | P08253 | 3/20 | 0.58 |
| ▸ | DPP4 | P27487 | 2/20 | 0.58 |
| ▸ | MMP9 | P14780 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28553083 | 0.83 | APP (0.62) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL29395741 | 0.81 | AKR1C3 (0.66) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL10632283 | 0.81 | AKR1C3 (0.70) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL2601403 | 0.81 | AKR1C3 (0.66) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL12555874 | 0.81 | AKR1C3 (0.66) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL19511928 | 0.78 | AKR1C3 (0.62) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL19511929 | 0.78 | AKR1C3 (0.62) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL4840084 | 0.77 | AKR1C3 (0.69) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL4840094 | 0.77 | AKR1C3 (0.69) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 | |
| SCHEMBL27619793 | 0.77 | AKR1B10 (0.65) | AKR1C3AKR1B10AKR1B1KDM4EALDH1A1 |
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-109678923-B | Tripterine (iso) ferulic acid ester derivative and preparation method and application thereof | 中国药科大学 | 2021-04-27 | — | — | CN | disclosed |