Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL19643066 | 0.85 | ALDH1A1 (0.34) | ALDH1A1GPR3AKR1C2AKR1C1NOTUM | |
| SCHEMBL11274922 | 0.83 | GPR3 (0.36) | GPR3AKR1C2AKR1C1NOTUMGRIN2B | |
| SCHEMBL1040929 | 0.83 | GPR3 (0.41) | GPR3AKR1C2AKR1C1NOTUMGRIN2B | |
| SCHEMBL25372577 | 0.81 | GPR3 (0.35) | GPR3AKR1C2AKR1C1NOTUMGRIN2B | |
| SCHEMBL9224313 | 0.81 | GPR3 (0.35) | GPR3AKR1C2AKR1C1NOTUMGRIN2B | |
| SCHEMBL8464365 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP3A4HPGDCRHBPCRHR2 | |
| SCHEMBL12536048 | 0.81 | GPR3 (0.37) | ALDH1A1GPR3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL3203026 | 0.81 | AKR1C2 (0.49) | ALDH1A1GPR3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL342267 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GPR3AKR1C2AKR1C1CYP3A4 | |
| SCHEMBL23084107 | 0.80 | ALDH1A1 (0.35) | ALDH1A1GPR3AKR1C2AKR1C1CYP3A4 |
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-5981789-A | CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD | OCCIDENTAL CHEMICAL CORPORATION (US) | 1999-11-09 | — | — | US | 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 |