Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HRAS | P01112 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28411649 | 1.00 | TRPA1 (0.44) | TRPA1NPC1RAB9ASIGMAR1TAAR1 | |
| SCHEMBL28361376 | 0.86 | NPC1 (0.41) | TRPA1NPC1RAB9ASIGMAR1TAAR1 | |
| SCHEMBL28361375 | 0.86 | NPC1 (0.41) | TRPA1NPC1RAB9ASIGMAR1TAAR1 | |
| SCHEMBL27860397 | 0.83 | SIGMAR1 (0.44) | TRPA1NPC1RAB9ASIGMAR1TAAR1 | |
| SCHEMBL22731047 | 0.81 | NPC1 (0.43) | NPC1RAB9ASIGMAR1TAAR1SLC18A2 | |
| SCHEMBL8150075 | 0.81 | RAB9A (0.46) | TRPA1NPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL28361387 | 0.81 | NPC1 (0.47) | NPC1RAB9AALDH1A1CA1CA2 | |
| SCHEMBL28361386 | 0.81 | NPC1 (0.47) | NPC1RAB9AALDH1A1CA1CA2 | |
| SCHEMBL9100976 | 0.80 | TSHR (0.46) | NPC1RAB9ASIGMAR1TAAR1SLC18A2 | |
| SCHEMBL10659989 | 0.76 | CA1 (0.53) | NPC1RAB9ATSHRALDH1A1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111233770-B | Chiral pyrazole derivative and synthesis method thereof | 南通大学 | 2022-12-27 | — | — | CN | claimed |
| CN-111233770-A | Chiral pyrazole derivative and synthesis method thereof | 南通大学 | 2020-06-05 | — | — | CN | claimed |
| CN-111233770-B | Chiral pyrazole derivative and synthesis method thereof | 南通大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-111233770-A | Chiral pyrazole derivative and synthesis method thereof | 南通大学 | 2020-06-05 | — | — | CN | disclosed |