Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16902843 | 0.90 | CYP3A4 (0.57) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL31314901 | 0.84 | CYP3A4 (0.55) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL2467241 | 0.84 | CYP3A4 (0.55) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL105731 | 0.82 | CYP3A4 (0.62) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL30398332 | 0.82 | CYP3A4 (0.62) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL8697795 | 0.82 | CYP3A4 (0.57) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL10962952 | 0.79 | CYP3A4 (0.53) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL10742796 | 0.79 | CYP3A4 (0.46) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL23950173 | 0.78 | CYP3A4 (0.53) | CYP3A4CHRNB4CHRNA3ESR1ESR2 | |
| SCHEMBL8765732 | 0.78 | CYP3A4 (0.53) | CYP3A4CHRNB4CHRNA3ESR1ESR2 |
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 |