Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9182269 | 0.83 | ALDH1A1 (0.44) | CES2CES1TSHRALDH1A1MAPT | |
| SCHEMBL18338013 | 0.81 | CES2 (0.50) | CES2CES1TSHRALOX15HPGD | |
| SCHEMBL9178437 | 0.81 | TP53 (0.52) | TSHRCA1CA2SRD5A2ALDH1A1 | |
| SCHEMBL11628326 | 0.80 | MAPK1 (0.43) | CES2CES1TSHRALOX15HPGD | |
| SCHEMBL27354161 | 0.79 | MAPT (0.50) | CES2CES1HPGDCA1CA2 | |
| SCHEMBL9178767 | 0.79 | PARP10 (0.50) | TSHRCA1CA2ALDH1A1POLB | |
| SCHEMBL21448791 | 0.79 | TSHR (0.52) | TSHRHPGDSRD5A2CHRNA7MAPT | |
| SCHEMBL8151048 | 0.78 | LMNA (0.48) | CES2CES1TSHRALOX15HPGD | |
| SCHEMBL11262334 | 0.77 | PARP1 (0.52) | HPGDCHRNA7ALDH1A1MAPTKMT2A | |
| SCHEMBL12490189 | 0.76 | CA1 (0.57) | TSHRCA1CA2ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5140035-A | FUNGICIDAL TRIAZOLYMETHYL-CYCLOPROPYL DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-18 | — | — | US | disclosed |
| US-4137324-A | Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1979-01-30 | — | — | US | disclosed |