Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 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 | 0.82 | CA1 (0.38) | CA1CA2CA4CES2CES1 | |
| SCHEMBL9504878 | 0.77 | CA1 (0.48) | CA1CA2CA4CES2CES1 | |
| SCHEMBL15901970 | 0.76 | CES2 (0.42) | CES2KIF11NOTUM | |
| SCHEMBL8925773 | 0.75 | AKR1C3 (0.34) | CA1CA2CA4CES2CES1 | |
| SCHEMBL8925528 | 0.75 | RXRA (0.33) | CA1CA2CA4CES2CES1 | |
| SCHEMBL29244555 | 0.74 | TMPRSS4 (0.35) | CES2KIF11KCNQ3KCNQ2KCNE1 | |
| SCHEMBL17791102 | 0.74 | SMN1; SMN2 (0.35) | CA2KIF11KCNQ3KCNQ2KCNE1 | |
| SCHEMBL8072641 | 0.74 | ALDH1A1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL18394005 | 0.74 | CES2 (0.47) | CES2CES1KDRNOTUM | |
| SCHEMBL927178 | 0.73 | KDR (0.42) | CA1CA2CES2KIF11KCNQ3 |
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 |