Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.69 |
| ▸ | CES1 | P23141 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1435351 | 0.83 | CES2 (0.75) | CES2CES1MAPTNR4A1NR4A2 | |
| SCHEMBL25547743 | 0.83 | MAPT (0.49) | CES2CES1MAPTNR4A1NR4A2 | |
| SCHEMBL3172262 | 0.83 | CES2 (1.00) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL28670034 | 0.82 | MAPT (0.71) | CES2CES1MAPTTHRATHRB | |
| SCHEMBL7631073 | 0.82 | MAPT (0.55) | CES2CES1MAPTSRD5A2THRA | |
| SCHEMBL27472277 | 0.82 | CES2 (0.72) | CES2CES1NR4A1NR4A2NR4A3 | |
| Water SCHEMBL17802301 | 0.82 | CES2 (0.72) | CES2CES1MAPTNR4A1NR4A2 | |
| SCHEMBL14400014 | 0.82 | MAPT (0.55) | CES2CES1MAPTSRD5A2THRA | |
| SCHEMBL28587857 | 0.80 | CES2 (0.57) | CES2CES1MAPTNR4A1NR4A2 | |
| SCHEMBL28975336 | 0.80 | CES2 (0.69) | CES2CES1NR4A1NR4A2NR4A3 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3041059-A | — | — | None | — | — | JP | disclosed |
| JP-H0341059-A | 2-METHYL-1-(4-TRIFLUOROMETHYLPHENYL)PROPANONE DERIVATIVE AND SYNTHETIC INTERMEDIATE THEREFOR | NIPPON KAYAKU CO LTD | 1991-02-21 | — | — | JP | disclosed |