Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.48 |
| ▸ | SLCO2B1 | O94956 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL349722 | 1.00 | CYP3A4 (0.52) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL1508796 | 0.90 | MEN1 (0.49) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL16151244 | 0.89 | KDM4E (0.54) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL2781922 | 0.89 | KDM4E (0.54) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL8249167 | 0.89 | KDM4E (0.54) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL28616927 | 0.88 | RECQL (0.44) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL7200862 | 0.87 | CYP1A1 (0.54) | CYP3A4MEN1KMT2APTGS1PTGS2 | |
| SCHEMBL15544306 | 0.85 | RECQL (0.56) | CYP3A4MEN1KMT2APTGS1SYNJ2 | |
| SCHEMBL3368235 | 0.85 | CYP19A1 (0.53) | CYP3A4PTGS2CYP19A1HSD17B10CA12 | |
| SCHEMBL7809366 | 0.85 | CYP19A1 (0.45) | CYP3A4MEN1KMT2APTGS1PTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112285223-A | Liquid chromatography-mass spectrometry combined analysis model and construction method thereof | 天津中医药大学 | 2021-01-29 | — | — | CN | disclosed |
| US-8273950-B2 | Polynucleotides encoding phenylpropanoid and flavonoid biosynthetic pathway enzymes in coffee | NESTEC S. A. (CH) | 2012-09-25 | — | — | US | disclosed |
| US-20100037357-A1 | Polynucleotides Encoding Phenylpropanoid and Falvonoid Biosynthetic Pathway Enzymes in Coffee | NESTEC S.A. (CH) | 2010-02-11 | — | — | US | disclosed |
| EP-1937803-A2 | POLYNUCLEOTIDES ENCODING PHENYLPROPANOID AND FLAVONOID BIOSYNTHETIC PATHWAY ENZYMES IN COFFEE | Cornell University (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007044992-A2 | POLYNUCLEOTIDES ENCODING PHENYLPROPANOID AND FLAVONOID BIOSYNTHETIC PATHWAY ENZYMES IN COFFEE | CORNELL UNIVERSITY (US) | 2007-04-19 | — | — | WO | disclosed |