Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8002957 | 0.85 | TAAR1 (0.41) | TAAR1CES2CES1TRPA1ADRA2A | |
| SCHEMBL4074988 | 0.84 | TAAR1 (0.50) | TAAR1CES2CES1TRPA1AOC3 | |
| SCHEMBL5968497 | 0.84 | CES2 (0.46) | TAAR1CES2CES1TRPA1CYP2D6 | |
| SCHEMBL5968305 | 0.81 | CES2 (0.44) | TAAR1CES2CES1TRPA1CYP2D6 | |
| SCHEMBL9463593 | 0.79 | TAAR1 (0.44) | TAAR1CES2CES1TRPA1ADRA2A | |
| SCHEMBL13590015 | 0.78 | CES2 (0.50) | TAAR1CES2CES1TRPA1CYP2D6 | |
| SCHEMBL4456759 | 0.78 | CES2 (0.50) | TAAR1CES2CES1TRPA1CYP2D6 | |
| SCHEMBL10778622 | 0.77 | TAAR1 (0.43) | TAAR1CES2CES1TRPA1ADRA2A | |
| SCHEMBL1551 | 0.73 | — | — | |
| Benzene SCHEMBL22288204 | 0.73 | TAAR1 (0.48) | TAAR1CES2CES1TRPA1ADRA2A |
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-0218736-B1 | A KETENE S,S-ACETAL DERIVATIVE, A PROCESS FOR MANUFACTURING THEREOF AND A METHOD FOR CURING MYCOSIS BY ADMINISTERING IT | NIHON NOHYAKU CO., LTD. (JP) | 1993-04-07 | — | — | EP | disclosed |
| US-4738976-A | Antimycotic agent and fungicidal agent | NIHON NOHYAKU CO., LTD. (JP) | 1988-04-19 | — | — | US | disclosed |
| EP-0218736-A1 | A ketene S,S-acetal derivative, a process for manufacturing thereof and a method for curing mycosis by administering it | NIHON NOHYAKU CO., LTD. (JP) | 1987-04-22 | — | — | EP | disclosed |
| US-4636519-A | FUNGICIDE | NIHON NOHYAKU CO., LTD. (JP) | 1987-01-13 | — | — | US | disclosed |