Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL8927304 | 0.80 | PTPN1 (0.37) | TSHRSMN1; SMN2CES2CES1SOS1 | |
| SCHEMBL8160354 | 0.79 | CES2 (0.37) | TSHRSMN1; SMN2CES2CES1AKR1B1 | |
| SCHEMBL8786682 | 0.74 | CES2 (0.42) | TSHRSMN1; SMN2CES2CES1RXRA | |
| SCHEMBL28872705 | 0.72 | HSP90AB1 (0.40) | TSHRSMN1; SMN2CES2CES1SOS1 | |
| SCHEMBL30222014 | 0.70 | DGAT1 (0.43) | CES2CES1ALDH1A1 | |
| SCHEMBL8925608 | 0.70 | ALDH1A1 (0.44) | TSHRSMN1; SMN2CES2CES1SOS1 | |
| SCHEMBL29690025 | 0.70 | CES2 (0.41) | SMN1; SMN2CES2CES1SOS1RXRA | |
| SCHEMBL16652778 | 0.70 | CES2 (0.41) | SMN1; SMN2CES2CES1SOS1RXRA | |
| SCHEMBL14797596 | 0.69 | GSK3B (0.43) | TSHRSMN1; SMN2CES2CES1SOS1 | |
| SCHEMBL8926667 | 0.68 | CES2 (0.39) | TSHRSMN1; SMN2CES2CES1ALDH1A1 |
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-5648567-A | INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| US-5493048-A | REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |