Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HINT1 | P49773 | 5/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 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 | |
|---|---|---|---|---|
| SCHEMBL28293057 | 0.87 | HINT1 (0.36) | HINT1NT5EHPRT1MEN1KMT2A | |
| SCHEMBL28294847 | 0.84 | HINT1 (0.41) | HINT1NT5EGSK3ARPS6KA3MAPK14 | |
| SCHEMBL26130922 | 0.79 | HINT1 (0.41) | HINT1NT5EMEN1KMT2AHBB | |
| SCHEMBL27875028 | 0.78 | ADORA3 (0.45) | HINT1NT5EMEN1KMT2AHBB | |
| SCHEMBL28293060 | 0.78 | ADORA3 (0.42) | HINT1NT5EMEN1KMT2AHBB | |
| SCHEMBL25387706 | 0.76 | HPGD (0.40) | HINT1HPRT1MEN1KMT2AHBB | |
| SCHEMBL7063505 | 0.76 | HINT1 (0.38) | HINT1NT5EGSK3ARPS6KA3MAPK14 | |
| SCHEMBL17223101 | 0.74 | TYMP (0.49) | HINT1GSK3ARPS6KA3MAPK14TAAR1 | |
| SCHEMBL28293070 | 0.73 | ADORA3 (0.41) | HINT1NT5EMEN1KMT2AHBB | |
| SCHEMBL1514934 | 0.72 | PNP (0.36) | HINT1HPRT1MEN1KMT2AHBB |
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-109661232-A | NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF | 纽约哥伦比亚大学董事会 | 2019-04-19 | — | — | CN | disclosed |