Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2895945 | 0.81 | ESR2 (0.42) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL486067 | 0.78 | KMO (0.59) | ESR2TAAR1MAP4K4CHEK2GSK3A | |
| SCHEMBL14153156 | 0.76 | MAP4K4 (0.44) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL12083955 | 0.76 | TAAR1 (0.47) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| Fluorobenzene SCHEMBL28347863 | 0.76 | HIF1A (0.54) | ABL1 | |
| Acetic Acid SCHEMBL27957503 | 0.75 | HIF1A (0.47) | MAP4K4CHEK2 | |
| SCHEMBL14153034 | 0.74 | MAP4K4 (0.45) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL16512756 | 0.73 | ESR2 (0.60) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL10165304 | 0.73 | TAAR1 (0.50) | ESR2TAAR1CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL1912349 | 0.73 | GABRA1 (0.51) | ESR2GRM5MAP4K4CHEK2GSK3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046804-B1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2-yl]methyl} phosphonate used in the synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |