Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.32 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.30 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601653 | 0.79 | NT5E (0.41) | CYP2C19CDK1HDAC1HDAC2ADORA3 | |
| SCHEMBL5694226 | 0.73 | CDK1 (0.59) | CDK1ADORA3ADORA1CFTRADORA2A | |
| SCHEMBL22912672 | 0.69 | — | — | |
| SCHEMBL29601224 | 0.69 | HDAC1 (0.58) | CDK1HDAC1HDAC2ADORA3ADORA1 | |
| SCHEMBL22912678 | 0.65 | ADORA2B (0.33) | — | |
| SCHEMBL29601247 | 0.64 | SLC29A1 (0.39) | CYP2C19SLC29A1 | |
| SCHEMBL28733103 | 0.62 | P2RX7 (0.33) | HDAC1 | |
| SCHEMBL29601427 | 0.62 | L3MBTL1 (0.38) | HDAC1HDAC2YTHDC1 | |
| SCHEMBL29601167 | 0.62 | ALDH1A1 (0.36) | ADORA3 | |
| SCHEMBL29601208 | 0.62 | HDAC1 (0.43) | HDAC1HDAC2YTHDC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021016263-A1 | CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2021-01-28 | — | — | WO | disclosed |