Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | NOX1 | Q9Y5S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7351588 | 0.92 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TDP1AHR | |
| SCHEMBL9511439 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1NOX1 | |
| SCHEMBL9507650 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TDP1NOX1 | |
| SCHEMBL7357401 | 0.74 | TDP1 (0.46) | ALDH1A1HSD17B10TDP1NOX1 | |
| SCHEMBL28774202 | 0.68 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL30204094 | 0.68 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL3534174 | 0.68 | KIF11 (0.45) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL7358246 | 0.67 | MAOA (0.55) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL29437166 | 0.67 | CA12 (0.54) | ALDH1A1HSD17B10TDP1 | |
| SCHEMBL560493 | 0.67 | CA12 (0.54) | 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 |