Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | MC3R | P41968 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28094672 | 0.86 | NAPRT (0.47) | TSHRKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27819263 | 0.81 | HCAR2 (0.32) | — | |
| Pyrimidine SCHEMBL28168060 | 0.80 | F7 (0.37) | F7F3SARM1SIRT2SIRT6 | |
| SCHEMBL28847385 | 0.80 | ADORA3 (0.30) | ADORA3TSHRMC4RADRA1AMC3R | |
| Hydrochloric Acid SCHEMBL27661442 | 0.79 | LMNA (0.39) | — | |
| Pyrazine SCHEMBL28327835 | 0.79 | ALDH1A1 (0.50) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL2917853 | 0.79 | — | — | |
| Pyrazine SCHEMBL306074 | 0.76 | ACHE (0.54) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazine SCHEMBL4712089 | 0.76 | ACHE (0.54) | ADORA3TSHRMC4RADRA1AMC3R | |
| Benzene SCHEMBL27502346 | 0.76 | ACHE (0.43) | TSHRCYP3A4CYP2C19 |
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-103705519-B | Cyclic triazo and diazo sodium channel blockers | 格林威治大学 | 2017-04-19 | — | — | CN | disclosed |
| CN-103705519-A | Cyclic triazo and diazo sodium channel blockers | UNIV GREENWICH | 2014-04-09 | — | — | CN | disclosed |