Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.34 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.34 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006067 | 0.94 | KCNH2 (0.40) | KCNH2LTB4RALDH1A1SMN1; SMN2MTOR | |
| SCHEMBL30006203 | 0.85 | ALDH1A1 (0.37) | LTB4RALDH1A1SMN1; SMN2MTORPMP22 | |
| SCHEMBL16228294 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| SCHEMBL22299298 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| SCHEMBL9971347 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| SCHEMBL16228298 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| SCHEMBL26162438 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| SCHEMBL16227752 | 0.75 | KCNH2 (0.78) | KCNH2SMN1; SMN2CCR1CCR8 | |
| Heptane SCHEMBL27729190 | 0.74 | KCNH2 (0.56) | KCNH2SMN1; SMN2MAPTCCR1CCR8 | |
| SCHEMBL10373980 | 0.73 | KCNH2 (0.74) | KCNH2SMN1; SMN2CCR1CCR8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907257-B | Method for catalyzing non-activated olefin halogenated pyridine through visible light induction | 中国科学院大连化学物理研究所 | 2023-11-24 | — | — | CN | disclosed |
| CN-114907257-A | Method for catalyzing non-activated olefin halopyridination through visible light induction | 中国科学院大连化学物理研究所 | 2022-08-16 | — | — | CN | disclosed |