Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | USP1 | O94782 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 7/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20652827 | 1.00 | RAB9A (0.41) | RAB9AHIF1AUSP1P2RX3ADORA3 | |
| SCHEMBL20655883 | 0.94 | P2RX3 (0.41) | HIF1AUSP1P2RX3ALDH1A1KDM4E | |
| SCHEMBL20652831 | 0.94 | P2RX3 (0.41) | HIF1AUSP1P2RX3ALDH1A1KDM4E | |
| SCHEMBL20652830 | 0.93 | PKM (0.41) | RAB9AUSP1P2RX3ALDH1A1KDM4E | |
| SCHEMBL20656055 | 0.93 | PKM (0.41) | RAB9AUSP1P2RX3ALDH1A1KDM4E | |
| SCHEMBL20656030 | 0.92 | ADORA3 (0.41) | HIF1AUSP1ADORA3MAPT | |
| SCHEMBL20653072 | 0.92 | ADORA3 (0.42) | RAB9AHIF1AUSP1P2RX3ADORA3 | |
| SCHEMBL20656182 | 0.87 | P2RX3 (0.41) | USP1P2RX3ADORA3SMN1; SMN2 | |
| SCHEMBL20652803 | 0.86 | P2RX3 (0.41) | USP1P2RX3ADORA3 | |
| SCHEMBL20656236 | 0.86 | P2RX3 (0.40) | HIF1AUSP1P2RX3ADORA3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |