Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1989192 | 0.75 | IDO1 (0.64) | HTTIDO1S1PR4ALDH1A1CYP3A4 | |
| SCHEMBL1145754 | 0.75 | IDO1 (0.44) | HTTIDO1S1PR4ALDH1A1CYP3A4 | |
| SCHEMBL9698848 | 0.75 | NOX1 (0.42) | NOX1BCHEACHEALDH1A1TP53 | |
| SCHEMBL9698315 | 0.75 | PRKCE (0.31) | ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL9508955 | 0.74 | BCHE (0.48) | NOX1IDO1BCHEACHEALDH1A1 | |
| SCHEMBL9511257 | 0.74 | BCHE (0.48) | NOX1IDO1BCHEACHEALDH1A1 | |
| SCHEMBL4929830 | 0.74 | — | — | |
| SCHEMBL25085954 | 0.72 | PRKCE (0.41) | HTTIDO1S1PR4ALDH1A1LMNA | |
| SCHEMBL3221093 | 0.69 | IDO1 (0.56) | HTTIDO1S1PR4ALDH1A1CYP3A4 | |
| SCHEMBL29018344 | 0.69 | IDO1 (0.45) | HTTIDO1S1PR4ALDH1A1CYP3A4 |
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 2 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 |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |