Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 5/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL18770738 | 0.79 | PYCR1 (0.54) | PYCR1MAOB | |
| SCHEMBL131361 | 0.76 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL200320 | 0.74 | TRPA1 (0.43) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL7069164 | 0.74 | TSHR (0.43) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL357871 | 0.74 | ESR1 (0.50) | TRPA1ALDH1A1MAOB | |
| SCHEMBL1253137 | 0.74 | TRPA1 (0.43) | TRPA1ALDH1A1TSHRPYCR1CES2 | |
| SCHEMBL11193453 | 0.74 | PYCR1 (0.30) | PYCR1 | |
| SCHEMBL1921131 | 0.74 | PYCR1 (0.50) | ALDH1A1PYCR1MAOB | |
| SCHEMBL5249523 | 0.74 | PYCR1 (0.52) | ALDH1A1PYCR1MAOB | |
| SCHEMBL186500 | 0.74 | PYCR1 (0.50) | PYCR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4411912-A | Insecticidal isovaleric acid esters | ZOECON CORPORATION (US) | 1983-10-25 | — | — | US | disclosed |
| US-4243819-A | Substituted amino acids | ZOECON CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |