Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | CPA1 | P15085 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27860693 | 0.97 | PARP1 (0.43) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL9276826 | 0.77 | PARP1 (0.40) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL9428707 | 0.71 | PARP1 (0.41) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL9912510 | 0.70 | KDM4E (0.40) | ARALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9357308 | 0.69 | PARP1 (0.45) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL28319611 | 0.68 | L3MBTL1 (0.33) | ALDH1A1CYP2C9MAPTMEN1NPC1 | |
| SCHEMBL11727763 | 0.67 | RIPK1 (0.53) | HPGDALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6710984 | 0.67 | RNASEH1 (0.58) | ALDH1A1MAPTKMT2A | |
| SCHEMBL6054867 | 0.66 | PIN1 (0.43) | PARP1ARHPGDALDH1A1CYP2C9 | |
| SCHEMBL9912457 | 0.65 | ALDH1A1 (0.42) | ARALDH1A1MAPTMEN1NPC1 |
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-102532137-B | 8-pyrazole substituted xanthine A2B adenosine receptor antagonist and synthesis method and application thereof | UNIV LIAONING MEDICAL | 2014-12-10 | — | — | CN | disclosed |