Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19084186 | 0.92 | TAS1R3 (0.35) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL19084253 | 0.90 | TAS1R3 (0.35) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL19084190 | 0.89 | TAS1R3 (0.35) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL19084210 | 0.88 | TAS1R3 (0.38) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL19088927 | 0.88 | TAS1R3 (0.33) | TAS1R3TAS1R1ADORA2ATAS1R2PDE10A | |
| SCHEMBL19084218 | 0.88 | TAS1R3 (0.37) | TAS1R3TAS1R1 | |
| SCHEMBL19084213 | 0.88 | NPC1 (0.37) | TAS1R3TAS1R1NPC1RAB9AALDH1A1 | |
| SCHEMBL19066601 | 0.87 | TAS1R3 (0.36) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL19099412 | 0.87 | TAS1R3 (0.36) | TAS1R3TAS1R1NPC1RAB9AADORA2A | |
| SCHEMBL16605217 | 0.86 | TAS1R3 (0.32) | TAS1R3TAS1R1ADORA2ATAS1R2PDE10A |
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-2017116956-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2017-07-06 | — | — | WO | disclosed |