Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.45 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.45 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300842 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL13550139 | 0.85 | RAPGEF4 (0.43) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL1531168 | 0.77 | PDE2A (0.37) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL27581177 | 0.77 | GPR35 (0.41) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL2005442 | 0.77 | CES2 (0.40) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL20303548 | 0.76 | PDE2A (0.53) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL24610554 | 0.76 | GABRB2 (0.40) | ALDH1A1TSHRHPGDALOX15TDP1 | |
| SCHEMBL3944248 | 0.76 | ALOX15 (0.36) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL15850519 | 0.74 | CES2 (0.39) | ALDH1A1TSHRCYP3A4HPGDALOX15 | |
| SCHEMBL981089 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4HPGDALOX15 |
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 13 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-4952719-A | Process for the preparation of halo aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0180057-B1 | PROCESS FOR THE PREPARATION OF HALO AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 1989-08-09 | — | — | EP | disclosed |
| EP-0289036-A1 | Preparation of 3-chloro-4,5-difluorobenzotrifluoride | OCCIDENTAL CHEMICAL CORPORATION (US) | 1988-11-02 | — | — | EP | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4603222-A | Method for the preparation of nitrodiphenyl ethers | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-07-29 | — | — | US | disclosed |
| US-4590315-A | Process for the preparation of halo aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0180057-A1 | Process for the preparation of halo aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-05-07 | — | — | EP | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0173349-A1 | Method for the preparation of nitrodiphenyl ethers | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-03-05 | — | — | EP | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |