Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21628043 | 0.82 | TYR (0.46) | TSHRTP53TYRKDM4EFFAR2 | |
| SCHEMBL27536724 | 0.81 | APP (0.39) | ALDH1A1LMNACYP3A4THRBALOX15 | |
| SCHEMBL28053185 | 0.79 | SMN1; SMN2 (0.53) | TDP1ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL39430 | 0.76 | TDP1 (0.72) | TDP1ALDH1A1LMNACYP3A4THRB | |
| SCHEMBL27536646 | 0.76 | MAPT (0.43) | TDP1ALDH1A1LMNACYP3A4THRB | |
| SCHEMBL13101491 | 0.75 | TDP1 (0.56) | TDP1ALDH1A1LMNACYP3A4THRB | |
| SCHEMBL29595346 | 0.75 | TYR (0.41) | TYRKIF11 | |
| SCHEMBL454717 | 0.75 | TYR (0.58) | ALDH1A1LMNAHIF1ATYRNFKB1 | |
| SCHEMBL874206 | 0.75 | TYR (0.58) | ALDH1A1LMNAHIF1ATYRNFKB1 | |
| SCHEMBL28131758 | 0.75 | TDP1 (0.56) | TDP1ALDH1A1LMNACYP3A4THRB |
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-1252070-A | 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors | ABBOTT LAB (US) | 2000-05-03 | — | — | CN | disclosed |