Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9836976 | 0.92 | TDP1 (0.44) | TDP1MAPK1KDM1AKDM1BCYP3A4 | |
| SCHEMBL28565939 | 0.89 | TDP1 (0.41) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL10347965 | 0.88 | TDP1 (0.39) | TDP1MAPK1KDM1AKDM1BCYP3A4 | |
| SCHEMBL1493000 | 0.87 | TDP1 (0.48) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL7931545 | 0.85 | TDP1 (0.45) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL1457032 | 0.82 | TDP1 (0.56) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL1493025 | 0.80 | TDP1 (0.52) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL6295742 | 0.78 | MAPK1 (0.42) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL9730202 | 0.78 | ALDH1A1 (0.47) | TDP1MAPK1CYP3A4TRPA1ALDH1A1 | |
| SCHEMBL19136001 | 0.77 | SLC6A4 (0.37) | TDP1MAPK1CYP3A4ALDH1A1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140735-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040524-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |
| US-4470930-A | Preparation of nuclear chlorinated aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |