Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 6/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.46 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21264079 | 0.86 | ACE (0.65) | ACETRPA1CYP2D6ANPEPRNPEP | |
| SCHEMBL21264005 | 0.80 | MMP8 (0.51) | ACETRPA1 | |
| SCHEMBL17949935 | 0.78 | HPGD (0.56) | TRPA1NPC1RAB9A | |
| SCHEMBL4698779 | 0.78 | HPGD (0.56) | TRPA1NPC1RAB9A | |
| SCHEMBL8897119 | 0.77 | ACE (0.58) | ACEANPEPRNPEPDNPEPNPC1 | |
| SCHEMBL21598301 | 0.74 | ACE (0.62) | ACETRPA1CYP2D6NPC1RAB9A | |
| SCHEMBL10127215 | 0.73 | TRPA1 (0.69) | ACETRPA1CYP2D6ANPEPRNPEP | |
| SCHEMBL10012151 | 0.72 | TRPA1 (0.58) | ACETRPA1CYP2D6NPC1RAB9A | |
| SCHEMBL4986173 | 0.72 | SLC1A3 (0.56) | ACETRPA1CYP2D6NPC1RAB9A | |
| Isobutylbenzene SCHEMBL27955709 | 0.72 | PTGS1 (0.59) | TRPA1NPC1RAB9A |
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-2019154663-A1 | NEW PYRIDINE CARBOXAMIDES | BASF SE (DE) | 2019-08-15 | — | — | WO | disclosed |