Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL10850555 | 0.87 | CYP19A1 (0.35) | CYP19A1ALDH1A1TDP1PTPN6PTPN11 | |
| SCHEMBL29760844 | 0.84 | TRPV1 (0.37) | CYP19A1ALDH1A1TDP1PTPN6PTPN11 | |
| SCHEMBL2035613 | 0.84 | TRPV1 (0.37) | CYP19A1ALDH1A1TDP1PTPN6PTPN11 | |
| SCHEMBL3257764 | 0.84 | TDP1 (0.39) | ALDH1A1GAATDP1KDM4ELMNA | |
| SCHEMBL30592740 | 0.84 | TDP1 (0.39) | ALDH1A1GAATDP1KDM4ELMNA | |
| SCHEMBL369947 | 0.81 | TRPV1 (0.35) | CYP19A1TDP1PTPN6PTPN11TRPV1 | |
| SCHEMBL10354469 | 0.78 | NFE2L2 (0.33) | CYP19A1PDE4BPDE4DKDM4EL3MBTL1 | |
| SCHEMBL10198240 | 0.76 | GRM4 (0.38) | CYP19A1TDP1PTPN6PTPN11KDM4E | |
| SCHEMBL179292 | 0.76 | TRPV1 (0.37) | ALDH1A1TDP1KDM4ELMNAHSP90AA1 | |
| SCHEMBL27679020 | 0.74 | PTPN6 (0.36) | ALDH1A1GAATDP1PTPN6PTPN11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0110690-B1 | PREPARATION OF (TRIFLUOROMETHYL)PYRIDINES | THE DOW CHEMICAL COMPANY (US) | 1990-09-26 | — | — | EP | disclosed |
| US-4650875-A | CATALYTIC FLUORINATION OF TRICHLOROMETHYL ANALOG | THE DOW CHEMICAL COMPANY (US) | 1987-03-17 | — | — | US | disclosed |
| US-4590279-A | CATALYTIC FLUORINATION OF (TRICHLOROMETHYL)PYRIDINES | THE DOW CHEMICAL COMPANY (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0110690-A1 | Preparation of (trifluoromethyl)pyridines | THE DOW CHEMICAL COMPANY (US) | 1984-06-13 | — | — | EP | disclosed |