Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL2593530 | 0.70 | CYP3A4 (0.56) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL24524514 | 0.67 | AHR (0.62) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL7289940 | 0.66 | CYP3A4 (0.59) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL1503430 | 0.64 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL5074455 | 0.64 | GAA (0.53) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL31168323 | 0.62 | CYP3A4 (0.39) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL9508879 | 0.60 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL10620711 | 0.60 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL11144843 | 0.60 | HSD17B10 (0.59) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL7221200 | 0.60 | HSD17B10 (0.46) | ALDH1A1CYP3A4CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |