Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31016562 | 1.00 | C5AR1 (0.39) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL30776218 | 0.88 | ESR2 (0.45) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL30776241 | 0.88 | PARP1 (0.47) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL12706727 | 0.88 | ESR2 (0.45) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL13250465 | 0.88 | PARP1 (0.47) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL19357859 | 0.84 | C5AR1 (0.39) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL20608461 | 0.84 | C5AR1 (0.39) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL28672930 | 0.84 | POLB (0.39) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL31016608 | 0.83 | PARP1 (0.37) | C5AR1PARP1TNKS2PARP2MTOR | |
| SCHEMBL27270234 | 0.83 | C5AR1 (0.38) | C5AR1PARP1TNKS2PARP2MTOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113727758-A | Bicyclic heterocyclic compounds and use thereof | 锐新医药公司 | 2021-11-30 | — | — | CN | disclosed |
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |