Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28395962 | 0.94 | LTB4R (0.47) | CTSSCTSKPDE4BCYP3A4TSHR | |
| SCHEMBL11732822 | 0.85 | MEN1 (0.49) | CTSKTSHRKDM4EALDH1A1LTB4R | |
| SCHEMBL28396934 | 0.83 | CTSS (0.48) | CTSSCTSKTSHRKDM4EALDH1A1 | |
| SCHEMBL15741324 | 0.82 | MEN1 (0.53) | TSHRKDM4EALDH1A1LTB4RCNR2 | |
| SCHEMBL16629543 | 0.81 | CTSS (0.50) | CTSSCTSKPDE4BCYP3A4TSHR | |
| SCHEMBL19526732 | 0.79 | MEN1 (0.50) | TSHRKDM4EALDH1A1LTB4RCNR2 | |
| SCHEMBL20019499 | 0.78 | NOTUM (0.48) | CYP3A4KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28392205 | 0.78 | MEN1 (0.62) | KDM4EALDH1A1LTB4RNPC1TP53 | |
| SCHEMBL28396683 | 0.78 | MEN1 (0.62) | KDM4EALDH1A1LTB4RNPC1TP53 | |
| SCHEMBL30973840 | 0.78 | CTRC (0.51) | TSHRKDM4EALDH1A1LTB4RCNR2 |
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-111138346-B | 2-ethyl-4,6-disubstituted pyridine compound and preparation method thereof | 上海大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-111138346-A | 2-ethyl-4, 6-disubstituted pyridine compound and preparation method thereof | 上海大学 | 2020-05-12 | — | — | CN | disclosed |