Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29943772 | 1.00 | ACHE (0.46) | ACHEGPR119PARP1MEN1KMT2A | |
| SCHEMBL23301259 | 0.90 | GRIN2B (0.42) | PARP1MEN1KMT2AGRIN2BNPC1 | |
| SCHEMBL21405122 | 0.88 | GPR119 (0.41) | ACHEGPR119PARP1MEN1KMT2A | |
| SCHEMBL29790292 | 0.88 | GPR119 (0.41) | ACHEGPR119PARP1MEN1KMT2A | |
| SCHEMBL29942509 | 0.85 | TNKS (0.43) | PARP1MEN1KMT2AGRIN2BHTT | |
| SCHEMBL23301181 | 0.85 | TNKS (0.43) | PARP1MEN1KMT2AGRIN2BHTT | |
| SCHEMBL30796848 | 0.85 | ACHE (0.53) | ACHEGPR119MEN1KMT2ATLR9 | |
| SCHEMBL23301381 | 0.83 | ALDH1A1 (0.46) | GPR119PARP1MEN1KMT2AHTT | |
| SCHEMBL30796962 | 0.83 | PRMT5 (0.50) | ACHEGPR119GRIN2BHTTNPC1 | |
| SCHEMBL29910587 | 0.83 | KDM4E (0.47) | GPR119HTT |
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-114728936-A | Bifunctional compounds for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | disclosed |