Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2711461 | 0.98 | CYP3A4 (0.52) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL23535097 | 0.96 | CYP3A4 (0.50) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL28210169 | 0.96 | CYP3A4 (0.50) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL28413577 | 0.96 | CYP3A4 (0.50) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| Octane SCHEMBL3976334 | 0.95 | CYP3A4 (0.49) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL8437140 | 0.91 | PRSS1 (0.48) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL31475479 | 0.87 | CYP3A4 (0.58) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL8434071 | 0.87 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| Tromethamine SCHEMBL2772555 | 0.86 | CYP3A4 (0.42) | CYP3A4TSHRTDP1L3MBTL1ATM | |
| SCHEMBL30472173 | 0.86 | CYP3A4 (0.49) | CYP3A4TSHRTDP1L3MBTL1ATM |
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-107384217-B | Method for producing rosin ester and rosin ester | 荒川化学工业株式会社 | 2021-02-02 | — | — | CN | disclosed |