Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10337770 | 1.00 | CYP11B1 (0.39) | CYP11B1CYP11B2KDM4EALDH1A1MAPT | |
| SCHEMBL15716233 | 0.80 | ALDH1A1 (0.46) | CYP11B1CYP11B2KDM4EALDH1A1MAPT | |
| SCHEMBL9061165 | 0.80 | XDH (0.39) | CYP11B1CYP11B2S1PR1 | |
| SCHEMBL9061156 | 0.80 | XDH (0.39) | CYP11B1CYP11B2S1PR1 | |
| SCHEMBL9061852 | 0.78 | NQO1 (0.41) | MAPTRAB9A | |
| SCHEMBL9061861 | 0.78 | NQO1 (0.41) | MAPTRAB9A | |
| SCHEMBL19801798 | 0.69 | CYP11B1 (0.71) | CYP11B1CYP11B2 | |
| SCHEMBL9061623 | 0.68 | RAB9A (0.48) | RAB9A | |
| SCHEMBL9061982 | 0.68 | RAB9A (0.42) | ALDH1A1MAPTRAB9A | |
| SCHEMBL9061617 | 0.68 | RAB9A (0.48) | RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |