Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 6/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 6/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9145961 | 0.90 | MEN1 (0.46) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8783548 | 0.88 | ALDH1A1 (0.32) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8783432 | 0.86 | MEN1 (0.44) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8927423 | 0.85 | MEN1 (0.43) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8673133 | 0.79 | KDM4E (0.59) | ALDH1A1TOP2ATOP2BKDM4EHPGD | |
| SCHEMBL9145290 | 0.78 | MEN1 (0.47) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8533023 | 0.78 | ALDH1A1 (0.54) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8092764 | 0.78 | ALDH1A1 (0.54) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8673123 | 0.78 | ALDH1A1 (0.54) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9416442 | 0.78 | POLB (0.34) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 6 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 |
| EP-0607826-B1 | Fluoro-trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1997-05-07 | — | — | EP | 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 |
| EP-0607826-A1 | Fluoro-Trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| EP-0607825-A1 | 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |