Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510009 | 0.92 | KDM4E (0.42) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL13645117 | 0.85 | ALDH1A1 (0.56) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL10959160 | 0.78 | MEN1 (0.55) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL9699600 | 0.77 | ALDH1A1 (0.48) | KDM4ECYP3A4HPGDCASP1AKR1C3 | |
| SCHEMBL9698398 | 0.77 | ALDH1A1 (0.48) | KDM4ECYP3A4HPGDCASP1AKR1C3 | |
| SCHEMBL8609889 | 0.76 | HPGD (0.61) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL8609175 | 0.75 | KDM4E (0.59) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL31255615 | 0.75 | MAPT (0.49) | KDM4ECYP1A2CYP3A4HPGDCASP1 | |
| SCHEMBL29350361 | 0.74 | SRD5A2 (0.74) | CYP1A2HPGDCASP1CYP2C19ALDH1A1 | |
| SCHEMBL522683 | 0.74 | SRD5A2 (0.74) | CYP1A2HPGDCASP1CYP2C19ALDH1A1 |
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 |