Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL3367248 | 0.80 | CA1 (0.38) | CA1CA2CA4ARCES2 | |
| SCHEMBL8927424 | 0.75 | CA1 (0.36) | CA1CA2CA4CES2ALDH1A1 | |
| SCHEMBL8925773 | 0.73 | AKR1C3 (0.34) | CA1CA2CA4CES2CES1 | |
| SCHEMBL8926662 | 0.73 | TSHR (0.37) | RXRARXRBRXRGCA1CA2 | |
| SCHEMBL330842 | 0.71 | HTT (0.43) | CES2LMNACES1 | |
| SCHEMBL30194898 | 0.69 | PTPN1 (0.38) | CA1CA2CA4CES2ALDH1A1 | |
| SCHEMBL1187294 | 0.69 | PTPN1 (0.38) | CA1CA2CA4CES2ALDH1A1 | |
| SCHEMBL8013023 | 0.69 | CA1 (0.38) | KDM4ECA1CA2CA4POLB | |
| SCHEMBL9414335 | 0.67 | ALDH1A1 (0.43) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL3648030 | 0.66 | RXRA (0.41) | RXRARXRBRXRGPTGS2FFAR1 |
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 |