Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 3/20 | 0.36 |
| ▸ | MMP9 | P14780 | 3/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11351463 | 0.73 | CETP (0.38) | CETPNAAAPTPN1ACP1CDC25B | |
| SCHEMBL15675854 | 0.72 | MEN1 (0.37) | OPRM1GAA | |
| Benzylic Acid SCHEMBL27794460 | 0.71 | CYP2C9 (0.55) | CES2CES1NAAAGAA | |
| Benzylic Acid SCHEMBL27815601 | 0.71 | CYP2C9 (0.55) | CES2CES1NAAAGAA | |
| Benzylic Acid SCHEMBL27815599 | 0.71 | CYP2C9 (0.55) | CES2CES1NAAAGAA | |
| SCHEMBL717692 | 0.70 | CHRM2 (0.49) | OPRM1GAA | |
| SCHEMBL2901173 | 0.69 | CETP (0.36) | CETPNAAA | |
| SCHEMBL12315579 | 0.68 | SCN5A (0.55) | CES2CES1NAAAGAA | |
| SCHEMBL5155798 | 0.68 | SCN5A (0.55) | CES2CES1NAAAGAA | |
| SCHEMBL7916110 | 0.68 | SCN5A (0.55) | CES2CES1NAAAGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6028198-A | CATALYTIC ESTERIFICATION OF 3-METHYL AZABICYCLO (3, 3, 1) NONAN-9 ALPHA-OL WITH METHYL OR ETHYL 2-PHENYL-2-CYCLOPENTYL-2-HYDROXY-ACETATE OR 2-PHENYL-2-CYCLOPENTYL-2-HYDROXY-ACETIC ACID | INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY SCIENCES P.L.A. (CN) | 2000-02-22 | — | — | US | disclosed |