Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8715079 | 0.76 | HSD11B1 (0.44) | HSD11B1AKR1B1CYP2C9HPGDLMNA | |
| SCHEMBL3009009 | 0.76 | ALDH1A1 (0.52) | ACHEAKR1B1HPGDLMNATP53 | |
| SCHEMBL9511257 | 0.75 | BCHE (0.48) | BCHEACHENOX1HPGDLMNA | |
| SCHEMBL9508955 | 0.75 | BCHE (0.48) | BCHEACHENOX1HPGDLMNA | |
| SCHEMBL4929830 | 0.75 | — | — | |
| SCHEMBL1729184 | 0.74 | HSD11B1 (0.45) | HSD11B1AKR1B1CYP2C9HPGDLMNA | |
| SCHEMBL30678861 | 0.74 | HSD11B1 (0.45) | HSD11B1AKR1B1CYP2C9HPGDLMNA | |
| SCHEMBL29384019 | 0.74 | MCL1 (0.53) | ACHEAKR1B1HPGDLMNATP53 | |
| SCHEMBL198460 | 0.74 | MCL1 (0.53) | ACHEAKR1B1HPGDLMNATP53 | |
| SCHEMBL1989758 | 0.73 | CA1 (0.38) | HSD11B1CYP2C9HPGDLMNAALDH1A1 |
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 |