Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 4/20 | 0.37 |
| ▸ | CTRC | Q99895 | 2/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511354 | 0.87 | MEN1 (0.43) | MEN1CYP3A4HPGDALOX15KMT2A | |
| SCHEMBL9511385 | 0.76 | AHR (0.60) | AHRFLT1 | |
| 2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL14941758 | 0.69 | AHR (0.56) | HPGDALOX15HSD17B10AHRFLT1 | |
| SCHEMBL5860599 | 0.66 | AHR (0.46) | CYP3A4HPGDHSD17B10AHRFLT1 | |
| SCHEMBL11711418 | 0.65 | HPGD (0.62) | MEN1CYP3A4HPGDALOX15KMT2A | |
| SCHEMBL11820692 | 0.65 | MEN1 (0.45) | MEN1CYP3A4HPGDALOX15KMT2A | |
| SCHEMBL3295742 | 0.64 | MEN1 (0.61) | MEN1CYP3A4HPGDALOX15KMT2A | |
| SCHEMBL3618843 | 0.64 | MEN1 (0.67) | MEN1CYP3A4HPGDALOX15KMT2A | |
| 2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL10906041 | 0.63 | AHR (0.87) | AHRFLT1MAPK1 | |
| Hydrochloric Acid SCHEMBL27607304 | 0.63 | MEN1 (0.59) | MEN1CYP3A4HPGDALOX15KMT2A |
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 |