Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | PRKCA | P17252 | 6/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7386343 | 0.83 | CHRM2 (0.41) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL17892488 | 0.77 | CHRM2 (0.37) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL14875428 | 0.77 | THRB (0.31) | THRB | |
| SCHEMBL14875430 | 0.77 | THRB (0.31) | THRB | |
| SCHEMBL14875429 | 0.77 | THRB (0.31) | THRB | |
| SCHEMBL12936699 | 0.76 | CHRM2 (0.46) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL23587545 | 0.73 | CHRM2 (0.51) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL5526607 | 0.73 | CHRM2 (0.51) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL5665568 | 0.73 | CYP19A1 (0.54) | CHRM2CHRM4CHRM1CHRM3CYP19A1 | |
| SCHEMBL5463377 | 0.73 | NAAA (0.41) | CHRM2CHRM4CHRM1CHRM3CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102858767-B | As the aminopyrimidine of SYK inhibitor | MERCK SHARP & DOHME CORP. (US) | 2015-08-19 | — | — | CN | disclosed |