Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 11/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511341 | 0.73 | AHR (0.50) | AHRFLT1HSP90AA1 | |
| SCHEMBL9508182 | 0.71 | ALDH1A1 (0.38) | MEN1KMT2A | |
| 2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL1747904 | 0.71 | AHR (0.65) | AHRFLT1MEN1HSP90AA1KMT2A | |
| SCHEMBL4453372 | 0.69 | CYP3A4 (0.46) | AHRMEN1HSP90AA1KMT2ACYP2A6 | |
| SCHEMBL2932603 | 0.66 | AHR (0.52) | AHRMEN1KMT2ACYP2A6ESR2 | |
| SCHEMBL9511229 | 0.64 | AHR (0.38) | AHRFLT1 | |
| SCHEMBL9509978 | 0.64 | AHR (0.38) | AHRFLT1 | |
| SCHEMBL2936378 | 0.64 | MEN1 (0.45) | AHRMEN1HSP90AA1KMT2ACYP2A6 | |
| Hydrogen Sulfide SCHEMBL11666785 | 0.64 | AHR (0.50) | AHRMEN1KMT2ACYP2A6ESR2 | |
| SCHEMBL29368088 | 0.64 | CYP2A6 (0.44) | AHRMEN1HSP90AA1KMT2ACYP2A6 |
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 |