Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 4/20 | 0.34 |
| ▸ | RXRB | P28702 | 4/20 | 0.34 |
| ▸ | RXRG | P48443 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28872705 | 0.81 | HSP90AB1 (0.40) | TSHRSMN1; SMN2CES2CES1P2RX7 | |
| SCHEMBL14797596 | 0.81 | GSK3B (0.43) | PTPN1TSHRSMN1; SMN2CES2CES1 | |
| SCHEMBL8160348 | 0.80 | CES2 (0.57) | PTPN1ERCC5FEN1CES2CES1 | |
| SCHEMBL8786682 | 0.80 | CES2 (0.42) | TSHRSMN1; SMN2CES2CES1RXRA | |
| SCHEMBL8926670 | 0.80 | TSHR (0.36) | TSHRSMN1; SMN2CES2CES1RXRA | |
| SCHEMBL29009890 | 0.76 | RXRA (0.44) | TSHRSMN1; SMN2RXRARXRBRXRG | |
| SCHEMBL8165593 | 0.76 | ERCC5 (0.40) | PTPN1ERCC5FEN1SMN1; SMN2CES2 | |
| SCHEMBL10539615 | 0.76 | SMN1; SMN2 (0.40) | PTPN1ERCC5FEN1SMN1; SMN2CES2 | |
| SCHEMBL29690025 | 0.75 | CES2 (0.41) | SMN1; SMN2CES2CES1RXRARXRB | |
| SCHEMBL16652778 | 0.75 | CES2 (0.41) | SMN1; SMN2CES2CES1RXRARXRB |
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 3 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 |
| US-5457104-A | Antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-10 | — | — | US | disclosed |