Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.43 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511227 | 0.82 | USP8 (0.33) | TRPV4ALDH1A1CYP2A6MAOBMAOA | |
| SCHEMBL9511376 | 0.81 | AHR (0.39) | TRPV4PGK1VCAM1ALDH1A1MAPK1 | |
| SCHEMBL9511297 | 0.80 | PGK1 (0.31) | TRPV4PGK1 | |
| SCHEMBL145418 | 0.79 | TRPV4 (0.54) | TRPV4PGK1VCAM1ALDH1A1AR | |
| SCHEMBL10945357 | 0.76 | TRPV4 (0.52) | TRPV4PGK1VCAM1ALDH1A1AR | |
| SCHEMBL9511249 | 0.75 | AR (0.34) | AR | |
| SCHEMBL6502273 | 0.74 | TRPV4 (0.50) | TRPV4PGK1VCAM1ALDH1A1AR | |
| SCHEMBL9510026 | 0.73 | AHR (0.39) | ALDH1A1DYRK1ACLK4MAPK1 | |
| SCHEMBL1291792 | 0.68 | GAA (0.46) | TRPV4PGK1VCAM1ALDH1A1AR | |
| SCHEMBL3336692 | 0.68 | ALDH1A1 (0.51) | TRPV4PGK1VCAM1ALDH1A1AR |
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 |