Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TK1 | P04183 | 6/20 | 0.40 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | TK2 | O00142 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7255323 | 0.87 | ALDH1A1 (0.38) | TK1UPP1ALDH1A1KDM5ADAO | |
| SCHEMBL7259644 | 0.86 | ALDH1A1 (0.39) | TK1UPP1ALDH1A1KDM5AHPGD | |
| SCHEMBL7258531 | 0.86 | ALDH1A1 (0.40) | TK1UPP1ALDH1A1KDM5AHPGD | |
| SCHEMBL7255080 | 0.85 | TK1 (0.41) | TK1ALDH1A1KDM5AHPGDCAPN1 | |
| Emivirine SCHEMBL4657810 | 0.83 | ALDH1A1 (0.43) | UPP1ALDH1A1KDM5AHPGDPOLB | |
| SCHEMBL30601622 | 0.83 | ALDH1A1 (0.55) | TK1UPP1ALDH1A1KDM5AHPGD | |
| Emivirine SCHEMBL140546 | 0.83 | ALDH1A1 (0.43) | UPP1ALDH1A1KDM5AHPGDPOLB | |
| SCHEMBL7258543 | 0.81 | ALDH1A1 (0.38) | TK1ALDH1A1KDM5AHPGDDAO | |
| SCHEMBL7255123 | 0.81 | ALDH1A1 (0.40) | UPP1ALDH1A1KDM5AHPGDPOLB | |
| SCHEMBL7254857 | 0.79 | ALDH1A1 (0.37) | UPP1ALDH1A1KDM5AHPGDPOLB |
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-2003057677-A1 | ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES | SYDDANSK UNIVERSITET (DK) | 2003-07-17 | — | — | WO | disclosed |