Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | 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 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9987204 | 1.00 | CYP3A4 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9987307 | 0.85 | CYP3A4 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL3173884 | 0.85 | CYP3A4 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL10787378 | 0.82 | CHRNB2 (0.50) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL13917508 | 0.82 | CYP3A4 (0.47) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL1959404 | 0.81 | LMNA (0.50) | MTNR1AMTNR1BALDH1A1LMNA | |
| SCHEMBL13917512 | 0.81 | CYP3A4 (0.46) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL30398332 | 0.80 | CYP3A4 (0.62) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL16902843 | 0.80 | CYP3A4 (0.57) | CYP3A4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL8697795 | 0.80 | CYP3A4 (0.57) | 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 1 patent. 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 |