Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CASP9 | P55211 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL74499 | 0.90 | AHR (0.45) | CYP1A2ALDH1A1HPGDKDM4ECYP2A6 | |
| SCHEMBL29438114 | 0.90 | AHR (0.45) | CYP1A2ALDH1A1HPGDKDM4ECYP2A6 | |
| SCHEMBL10463774 | 0.76 | ALDH1A1 (0.64) | CYP1A2ALDH1A1HPGDKDM4ECYP2A6 | |
| SCHEMBL2145401 | 0.71 | KMT2A (0.45) | CYP1A2ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL4793929 | 0.71 | ALDH1A1 (0.36) | CYP1A2ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL77106 | 0.70 | CYP1A2 (1.00) | CYP1A2CYP2A6AHRPDK2TDP2 | |
| SCHEMBL29366435 | 0.70 | CYP1A2 (1.00) | CYP1A2CYP2A6AHRPDK2TDP2 | |
| SCHEMBL6225505 | 0.68 | CYP1A2 (0.52) | CYP1A2ALDH1A1HPGDKDM4ECYP2A6 | |
| SCHEMBL10463768 | 0.67 | CYP1A2 (0.94) | CYP1A2ALDH1A1CYP2A6AHRPDK2 | |
| Ammonia Solution, Strong SCHEMBL13736473 | 0.67 | CYP1A2 (0.94) | CYP1A2CYP2A6AHRPDK2TDP2 |
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-0340581-B1 | PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1992-03-18 | — | — | EP | disclosed |
| US-4925994-A | Process for the ring chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-15 | — | — | US | disclosed |
| EP-0340581-A2 | Process for the chlorination in the nucleus of aromatic hydrocarbons | BAYER AG (DE) | 1989-11-08 | — | — | EP | disclosed |