Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511439 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1NOX1CYP3A4 | |
| SCHEMBL7357401 | 0.94 | TDP1 (0.46) | ALDH1A1HSD17B10TDP1NOX1CYP3A4 | |
| SCHEMBL9508865 | 0.79 | ALDH1A1 (0.35) | ALDH1A1HSD17B10TDP1NOX1 | |
| SCHEMBL9508137 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL7351588 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL7360175 | 0.72 | TSHR (0.46) | ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL9508903 | 0.71 | HTR6 (0.54) | ALDH1A1NOX1 | |
| SCHEMBL651902 | 0.71 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TDP1CYP3A4MAPK1 | |
| SCHEMBL30357699 | 0.70 | LMNA (0.48) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL2263563 | 0.70 | LMNA (0.48) | ALDH1A1HSD17B10TDP1 |
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 |