Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.67 |
| ▸ | RELA | Q04206 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPSE | Q9Y251 | 2/20 | 0.55 |
| ▸ | MMP2 | P08253 | 3/20 | 0.55 |
| ▸ | MMP13 | P45452 | 3/20 | 0.55 |
| ▸ | MMP9 | P14780 | 2/20 | 0.55 |
| ▸ | MMP8 | P22894 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9261347 | 0.85 | ALDH1A1 (0.74) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL2617471 | 0.80 | NPC1 (1.00) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL1664216 | 0.80 | KDM4E (0.97) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL21240753 | 0.79 | DAGLA (0.54) | KDM4EALDH1A1HPGDRAB9ALMNA | |
| SCHEMBL9537786 | 0.78 | KMT2A (0.81) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL12470982 | 0.78 | PRMT5 (0.70) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20258860 | 0.77 | KMT2A (0.69) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL9537746 | 0.76 | KMT2A (0.79) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL2357098 | 0.76 | CHEK2 (0.74) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL27323235 | 0.76 | MAPT (0.80) | KDM4EALDH1A1NPC1RAB9ALMNA |
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-106905241-B | 1, 2-disubstituted benzimidazole derivative and application thereof | 沈阳药科大学 | 2020-03-17 | — | — | CN | disclosed |
| CN-107118249-B | 18 beta-glycyrrhetinic acid derivative and application thereof | 沈阳药科大学 | 2019-12-20 | — | — | CN | disclosed |