Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.50 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 7/20 | 0.49 |
| ▸ | CTSL | P07711 | 6/20 | 0.48 |
| ▸ | CTSB | P07858 | 4/20 | 0.48 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19066638 | 1.00 | ALDH1A1 (0.53) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL19066637 | 0.93 | CTSL (0.50) | ALDH1A1ALOX15CTSKCTSLCTSB | |
| SCHEMBL19089075 | 0.93 | CTSL (0.50) | ALDH1A1ALOX15CTSKCTSLCTSB | |
| SCHEMBL22091941 | 0.84 | CTSK (0.52) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL22091980 | 0.84 | CTSK (0.52) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL22091938 | 0.84 | CTSK (0.52) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL21837385 | 0.83 | KYNU (0.58) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL21837386 | 0.83 | KYNU (0.58) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL1832552 | 0.82 | KYNU (0.57) | ALDH1A1ALOX15CAPN1KYNUCTSK | |
| SCHEMBL28162782 | 0.82 | KYNU (0.60) | ALDH1A1ALOX15CAPN1KYNUCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017116949-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2017-07-06 | — | — | WO | disclosed |