Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 6/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL28191779 | 0.89 | LMNA (0.40) | P2RX4IMPDH2TRPV1HDAC3HDAC1 | |
| SCHEMBL29376182 | 0.83 | P2RX4 (0.44) | P2RX4MAPK1LMNATSHRSCN4A | |
| SCHEMBL3375661 | 0.83 | P2RX4 (0.44) | P2RX4MAPK1LMNATSHRSCN4A | |
| SCHEMBL5823517 | 0.81 | KDM4E (0.32) | P2RX4CYP3A4MEN1KMT2A | |
| Quinoline SCHEMBL28157604 | 0.80 | ALDH1A1 (0.44) | P2RX4CYP3A4TRPV1MAPK1LMNA | |
| Isoquinoline SCHEMBL28191817 | 0.79 | CA12 (0.33) | P2RX4CYP3A4ROCK2ROCK1LMNA | |
| Indole SCHEMBL28214491 | 0.75 | TRPA1 (0.45) | P2RX4MAPK1LMNATSHRSCN4A | |
| Isoquinoline SCHEMBL28183569 | 0.75 | HTT (0.33) | P2RX4HTT | |
| Isoquinoline SCHEMBL11346369 | 0.72 | IMPDH2 (0.53) | IMPDH2CYP3A4TRPV1ROCK2ROCK1 | |
| SCHEMBL3241414 | 0.71 | P2RX4 (0.42) | P2RX4MAPK1LMNATSHRSCN4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106008540-A | Heterocyclic aromatic acid ester type podophyllotoxin derivatives with anti-tumor activity as well as preparation method and application | 遵义医学院 | 2016-10-12 | — | — | CN | claimed |