Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL11872628 | 0.89 | TDP1 (0.40) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL11872782 | 0.86 | TDP1 (0.38) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL10791997 | 0.85 | TSHR (0.50) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL3960923 | 0.84 | TDP1 (0.39) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL162605 | 0.84 | PDE2A (0.41) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL29648890 | 0.84 | PDE2A (0.41) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL11782324 | 0.80 | TSHR (0.35) | TSHRTDP1MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL27701883 | 0.80 | TDP1 (0.36) | TDP1MAPK1CYP3A4ALDH1A1HPGD | |
| SCHEMBL8746797 | 0.79 | TSHR (0.45) | TSHRTDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL29565739 | 0.76 | CYP3A4 (0.53) | TSHRTDP1MAPK1CYP3A4ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098817-A | 2,6- of one kind dichlor-4-trifluoromethyl anilines lead to chlorine production technology | 江苏托球农化股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| EP-0639556-B1 | Process for the preparation of trifluoromethylanilines | HOECHST AG (DE) | 1997-03-05 | — | — | EP | disclosed |
| US-5471002-A | Process for preparing trifluoromethylanilines | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 1995-11-28 | — | — | US | disclosed |
| EP-0639556-A1 | Process for the preparation of trifluoromethylanilines | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-02-22 | — | — | EP | disclosed |
| US-4950813-A | Preparation of substituted benzotrichlorides | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-21 | — | — | US | disclosed |
| EP-0306804-A2 | Process for the preparation of substituted benzyl trichlorides | BAYER AG (DE) | 1989-03-15 | — | — | EP | disclosed |
| US-4748277-A | FLUORINATION AND HYDROLYSIS OF TRIHALOMETHYLPHENYL ISOCYANATE | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1988-05-31 | — | — | US | disclosed |
| EP-0012435-A2 | Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-06-25 | — | — | EP | disclosed |