Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | RHEB | Q15382 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21555633 | 0.88 | HRH4 (0.38) | HRH4HRH3CYP1A2ALDH1A1TSHR | |
| SCHEMBL21550537 | 0.84 | PDE4A (0.42) | HRH4HRH3CYP1A2ALDH1A1TSHR | |
| SCHEMBL21566204 | 0.75 | MAOA (0.44) | HRH4HRH3CYP1A2ALDH1A1TSHR | |
| SCHEMBL21566208 | 0.72 | HRH4 (0.34) | HRH4HRH3MAOAMAOBTLR8 | |
| SCHEMBL28900436 | 0.72 | TLR7 (0.42) | CYP1A2ALDH1A1TSHRTLR7CYP2C19 | |
| SCHEMBL30598827 | 0.72 | TLR7 (0.42) | CYP1A2ALDH1A1TSHRTLR7CYP2C19 | |
| SCHEMBL30598808 | 0.72 | TLR7 (0.36) | HRH4HRH3CYP1A2ALDH1A1MAOA | |
| SCHEMBL21557877 | 0.72 | TLR7 (0.36) | HRH4HRH3CYP1A2ALDH1A1MAOA | |
| SCHEMBL21550521 | 0.71 | PDE4A (0.41) | HRH4CYP1A2ALDH1A1TSHRMAOA | |
| SCHEMBL21550281 | 0.71 | TLR7 (0.46) | TLR8TLR7 |
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-2019214546-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |