Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3173884 | 1.00 | CYP3A4 (0.50) | CYP3A4GPBAR1CYSLTR1CHRNB4CHRNA3 | |
| SCHEMBL11665507 | 0.86 | GPBAR1 (0.55) | GPBAR1CYSLTR1MTNR1AMTNR1BGAA | |
| SCHEMBL9987204 | 0.85 | CYP3A4 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9987208 | 0.85 | CYP3A4 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL27773055 | 0.83 | CYP3A4 (0.45) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL10787378 | 0.82 | CHRNB2 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL13917508 | 0.82 | CYP3A4 (0.47) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL28982432 | 0.82 | CYP3A4 (0.44) | CYP3A4GPBAR1CYSLTR1CHRNB4CHRNA3 | |
| SCHEMBL2092088 | 0.81 | GPBAR1 (0.48) | GPBAR1CYSLTR1MTNR1AMTNR1BGAA | |
| SCHEMBL13917512 | 0.81 | CYP3A4 (0.46) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011158149-A1 | 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES | PFIZER INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011158149-A1 | 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES | PFIZER INC. (US) | 2011-12-22 | — | — | WO | disclosed |