Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20906379 | 0.84 | CA2 (0.36) | CYP2C19CYP3A4CYP1A2TSHRLMNA | |
| SCHEMBL20906680 | 0.81 | ADRA2A (0.36) | TSHRADRA2ATDP1ADRA2CADRA1D | |
| SCHEMBL20906356 | 0.78 | SCN2A (0.33) | GAAALDH1A1 | |
| SCHEMBL29000698 | 0.78 | CYP2C19 (0.52) | CYP2C19CYP3A4CYP1A2TSHRLMNA | |
| SCHEMBL29126122 | 0.76 | ESR1 (0.35) | CYP3A4TDP1BLMSMN1; SMN2GAA | |
| SCHEMBL14022676 | 0.75 | HSPA5 (0.57) | CYP2C19CYP3A4CYP1A2TSHRMEN1 | |
| SCHEMBL10814873 | 0.74 | CYP2C19 (0.61) | CYP2C19CYP3A4CYP1A2TSHRLMNA | |
| SCHEMBL10000643 | 0.73 | CYP2C19 (0.52) | CYP2C19CYP3A4CYP1A2TSHRLMNA | |
| SCHEMBL30913173 | 0.73 | CYP2C19 (0.52) | CYP2C19CYP3A4CYP1A2TSHRLMNA | |
| SCHEMBL30913172 | 0.73 | CYP2C19 (0.52) | CYP2C19CYP3A4CYP1A2TSHRLMNA |
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-2019071428-A1 | COMPOUND, PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION AND CURED PRODUCT THEREOF, AND PHOTOCURABLE INK AND PRINT USING THE SAME | DIC CORPORATION (JP) | 2019-04-18 | — | — | WO | disclosed |