Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597110 | 0.88 | CYP2A6 (0.47) | KDM4EGAAPTGS2CYP3A4ALDH1A1 | |
| SCHEMBL22471745 | 0.76 | CYP2A6 (0.46) | KDM4EPTGS2CYP3A4ALDH1A1HTT | |
| SCHEMBL8459674 | 0.73 | KDM4E (0.50) | KDM4EGAATDP1CYP3A4HTT | |
| SCHEMBL18029551 | 0.73 | KDM4E (0.55) | KDM4EGAATDP1CYP3A4ALDH1A1 | |
| SCHEMBL21845607 | 0.72 | KDM4E (0.38) | KDM4EGAATDP1CYP3A4ESR1 | |
| SCHEMBL8462184 | 0.72 | KDM4E (0.48) | KDM4EGAATDP1CYP3A4HTT | |
| SCHEMBL7647031 | 0.72 | PTGS2 (0.58) | GAAPTGS1PTGS2TDP1TOP1 | |
| SCHEMBL21333875 | 0.70 | TDP1 (0.50) | KDM4EGAAPTGS2TDP1CYP3A4 | |
| SCHEMBL37278 | 0.70 | PTGS2 (0.66) | GAAPTGS1PTGS2TDP1TOP1 | |
| SCHEMBL4004840 | 0.70 | TDP1 (0.50) | KDM4EGAAPTGS2TDP1CYP3A4 |
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-112892602-A | Phosphine-containing porous organic polymer supported catalyst and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2021-06-04 | — | — | CN | claimed |