Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20656039 | 0.94 | ADORA3 (0.40) | HTTSMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL20652805 | 0.92 | P2RX3 (0.39) | NPSR1MAPK1GFERLMNAHTT | |
| SCHEMBL20656031 | 0.90 | PKM (0.41) | NPSR1MAPK1GFERTP53LMNA | |
| SCHEMBL24095814 | 0.89 | MAPK1 (0.38) | NPSR1MAPK1GFERTP53LMNA | |
| SCHEMBL24095997 | 0.87 | ADORA3 (0.42) | MAPTADORA3 | |
| SCHEMBL20652948 | 0.86 | ADORA3 (0.41) | HTTSMN1; SMN2P2RX3ALDH1A1MAPT | |
| SCHEMBL20653063 | 0.86 | P2RX3 (0.43) | NPSR1LMNAHTTSMN1; SMN2P2RX3 | |
| SCHEMBL20656182 | 0.84 | P2RX3 (0.41) | MAPK1SMN1; SMN2P2RX3ADORA3USP1 | |
| SCHEMBL24095572 | 0.83 | ADORA3 (0.41) | HTTSMN1; SMN2P2RX3ALDH1A1KMT2A | |
| SCHEMBL20655954 | 0.83 | ADORA3 (0.42) | P2RX3ALDH1A1ADORA3USP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |