Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 8/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.37 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.37 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27913934 | 0.88 | P2RX7 (0.47) | MAOBP2RX7 | |
| SCHEMBL28093891 | 0.87 | CD38 (0.51) | CD38MAOBP2RX7AURKARPS6KB1 | |
| SCHEMBL27931758 | 0.84 | HDAC3 (0.40) | P2RX7NTRK1HDAC3HDAC1HDAC2 | |
| Pyrazinamide SCHEMBL28093544 | 0.84 | CD38 (0.45) | CD38P2RX7ANO1CYP3A4 | |
| SCHEMBL15432484 | 0.81 | P2RX7 (0.44) | CD38P2RX7 | |
| SCHEMBL27913635 | 0.78 | KMT2A (0.56) | P2RX7 | |
| SCHEMBL27913577 | 0.77 | VNN1 (0.53) | P2RX7AURKARPS6KB1AURKBVNN1 | |
| SCHEMBL27931776 | 0.77 | VNN1 (0.46) | MAOBP2RX7AURKARPS6KB1AURKB | |
| SCHEMBL27913547 | 0.77 | JAK2 (0.42) | MAOBANO1VNN1 | |
| SCHEMBL27913648 | 0.74 | AURKA (0.53) | P2RX7AURKARPS6KB1AURKB |
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-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | claimed |
| CN-103249721-A | Arylamine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC | 2013-08-14 | — | — | CN | disclosed |