Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511257 | 0.92 | BCHE (0.48) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL9508955 | 0.92 | BCHE (0.48) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL4929830 | 0.92 | — | — | |
| SCHEMBL17876644 | 0.89 | CYP2A6 (0.60) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL22180156 | 0.82 | CYP1A2 (0.50) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL23918224 | 0.79 | BCHE (0.41) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL9507644 | 0.79 | BCHE (0.41) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL22180134 | 0.79 | BCHE (0.41) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL19537670 | 0.78 | HPGD (0.56) | BCHEACHENOX1HPGDL3MBTL1 | |
| SCHEMBL8121328 | 0.76 | ACHE (0.50) | BCHEACHENOX1HPGDL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102232071-A | Fused Polycyclic Compounds as Protein Kinase Inhibitors | NAT HEALTH RESEARCH INSTITUTES | 2011-11-02 | — | — | CN | disclosed |
| 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 |