Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4839687 | 0.90 | AOC3 (0.47) | BDKRB2KDM4EALDH1A1HRH3LMNA | |
| SCHEMBL29861491 | 0.88 | LMNA (0.43) | BDKRB2KDM4EALDH1A1LMNACYP17A1 | |
| SCHEMBL13670523 | 0.86 | LMNA (0.48) | KDM4EALDH1A1LMNAS1PR2S1PR1 | |
| SCHEMBL2269518 | 0.86 | KIF11 (0.44) | LMNA | |
| SCHEMBL2269523 | 0.86 | KIF11 (0.44) | LMNA | |
| SCHEMBL2269512 | 0.86 | KIF11 (0.44) | LMNA | |
| SCHEMBL22034389 | 0.85 | HIF1A (0.47) | KDM4EALDH1A1LMNAS1PR2S1PR1 | |
| SCHEMBL22034390 | 0.85 | HIF1A (0.47) | KDM4EALDH1A1LMNAS1PR2S1PR1 | |
| SCHEMBL11621719 | 0.85 | AOC3 (0.46) | BDKRB2S1PR2S1PR1S1PR3LPAR2 | |
| SCHEMBL4625231 | 0.84 | TAAR1 (0.54) | KDM4EALDH1A1LMNACHRM2ADRA2B |
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-113354820-B | Chiral polysiloxanes, its synthesis and application | 中国科学院大连化学物理研究所 | 2022-08-19 | — | — | CN | disclosed |