Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 20/20 | 0.87 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.83 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.77 |
| ▸ | APLNR | P35414 | 1/20 | 0.77 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.77 |
| ▸ | GLP1R | P43220 | 1/20 | 0.77 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.77 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.77 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL1643488 | 1.00 | GNRHR (0.87) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL1643218 | 0.99 | GNRHR (0.86) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL1643222 | 0.99 | GNRHR (0.86) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| Elagolix SCHEMBL4995673 | 0.97 | GNRHR (0.92) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL1643219 | 0.94 | GNRHR (0.88) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL29960892 | 0.94 | GNRHR (0.88) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL1644181 | 0.93 | GNRHR (0.80) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| SCHEMBL19549541 | 0.93 | GNRHR (0.80) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| Elagolix SCHEMBL1642523 | 0.93 | GNRHR (1.00) | GNRHRCYP3A4ADRB2APLNROPRK1 | |
| Elagolix SCHEMBL4677617 | 0.93 | GNRHR (1.00) | GNRHRCYP3A4ADRB2APLNROPRK1 |
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-7419983-B2 | e.g. 3-[{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione; sex-hormone related diseases; anticarcinogenic agent; endometriosis, uterine fibroids, polycystic ovarian disease | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-09-02 | — | — | US | claimed |