Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 6/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL29801189 | 0.80 | AHR (0.65) | AHRTP53HSD11B1SRD5A2CYP1A2 | |
| SCHEMBL4449938 | 0.80 | AHR (0.65) | AHRTP53HSD11B1SRD5A2CYP1A2 | |
| SCHEMBL9507644 | 0.80 | BCHE (0.41) | TP53HSD11B1CYP1A2LMNACYP2A6 | |
| SCHEMBL9510026 | 0.74 | AHR (0.39) | AHRTP53CYP1A2LMNA | |
| Sulfur Dioxide SCHEMBL28329775 | 0.72 | AHR (0.56) | AHRPTGS2TP53PTGS1HSD11B1 | |
| SCHEMBL9508168 | 0.72 | CYP2A6 (0.39) | PTGS2TP53PTGS1HSD11B1CYP1A2 | |
| SCHEMBL2473835 | 0.70 | AHR (0.54) | AHRTP53CYP1A2LMNACYP2A6 | |
| SCHEMBL2933108 | 0.70 | AHR (0.67) | AHRTP53HSD11B1SRD5A2 | |
| SCHEMBL15330505 | 0.70 | AHR (0.48) | AHRTP53CYP1A2 | |
| SCHEMBL6452021 | 0.68 | AHR (0.47) | AHRPTGS2HSD11B1SRD5A2CYP1A2 |
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 |