Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.37 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | APOB | P04114 | 1/20 | 0.36 |
| ▸ | MTTP | P55157 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL28426457 | 0.87 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4POLB | |
| SCHEMBL28279915 | 0.84 | MEN1 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4POLB | |
| SCHEMBL27972549 | 0.84 | SMO (0.53) | L3MBTL1MEN1KMT2A | |
| SCHEMBL27972568 | 0.84 | MEN1 (0.53) | POLBL3MBTL1PTPRCALDH1A1MEN1 | |
| SCHEMBL27972304 | 0.84 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4POLB | |
| SCHEMBL27972547 | 0.83 | TSHR (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4POLB | |
| SCHEMBL27972608 | 0.83 | KCNK3 (0.50) | POLBGAAALDH1A1KMT2A | |
| SCHEMBL28259950 | 0.83 | NPC1 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4GAA | |
| SCHEMBL28419689 | 0.82 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4POLB | |
| SCHEMBL27972566 | 0.82 | KCNK3 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4POLB |
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-108863959-B | P2X4 receptor antagonists | 日本化学药品株式会社 | 2021-11-30 | — | — | CN | disclosed |
| CN-111333588-A | P2X4 receptor antagonists | 日本化学药品株式会社 | 2020-06-26 | — | — | CN | disclosed |
| CN-110483423-A | P2X4 receptor antagonist | NIPPON CHEMIPHAR CO | 2019-11-22 | — | — | CN | disclosed |
| CN-108863959-A | P2X4 RECEPTOR ANTAGONIST | 日本化学药品株式会社 | 2018-11-23 | — | — | CN | disclosed |