Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.52 |
| ▸ | F2 | P00734 | 2/20 | 0.50 |
| ▸ | F12 | P00748 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL32690195 | 0.74 | CYP1A2 (1.00) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL32690194 | 0.74 | CYP1A2 (1.00) | CYP1A2ADORA3ADORA2AADORA1F2 | |
| SCHEMBL3448327 | 0.73 | KMT2A (0.64) | KMT2AMMP2MMP9 | |
| SCHEMBL3448329 | 0.73 | KMT2A (0.64) | KMT2AMMP2MMP9 | |
| Hydrochloric Acid SCHEMBL23834278 | 0.72 | KMT2A (0.62) | KMT2AMMP2MMP9 | |
| SCHEMBL5744197 | 0.69 | NPC1 (0.47) | KMT2AMMP2MMP9 | |
| SCHEMBL5595918 | 0.69 | KMT2A (0.51) | KMT2AMMP2MMP9 | |
| SCHEMBL20840361 | 0.69 | KMT2A (0.51) | KMT2AMMP2MMP9 | |
| SCHEMBL9294202 | 0.69 | KMT2A (0.51) | KMT2AMMP2MMP9 | |
| SCHEMBL20189708 | 0.69 | KMT2A (0.51) | CYP1A2KMT2AMMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105131058-A | 3- glucamine-5-phenyl-1,2,4-triazole derivative and preparation method and uses thereof | UNIV HANGZHOU NORMAL | 2015-12-09 | — | — | CN | disclosed |
| CN-105131058-A | 3- glucamine-5-phenyl-1,2,4-triazole derivative and preparation method and uses thereof | UNIV HANGZHOU NORMAL | 2015-12-09 | — | — | CN | disclosed |