Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | ALPG | P10696 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588260 | 0.96 | KMT2A (0.58) | KMT2ACYP2C19RAB9AHTTKDM4E | |
| SCHEMBL28578977 | 0.88 | KMT2A (0.64) | KMT2ARAB9AKDM4ESMN1; SMN2POLB | |
| SCHEMBL28583698 | 0.87 | POLB (0.63) | KMT2ACYP2C19RAB9AHTTKDM4E | |
| SCHEMBL28568876 | 0.87 | HTT (0.72) | KMT2ACYP2C19RAB9AHTTKDM4E | |
| SCHEMBL28563952 | 0.86 | KMT2A (0.59) | KMT2ACYP2C19RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL28573876 | 0.86 | KMT2A (0.59) | KMT2ACYP2C19RAB9AHTTKDM4E | |
| SCHEMBL28566966 | 0.81 | MAPT (0.70) | CYP2C19RAB9AHTTKDM4ESMN1; SMN2 | |
| SCHEMBL28573979 | 0.81 | SMN1; SMN2 (0.58) | KMT2ACYP2C19RAB9AHTTKDM4E | |
| SCHEMBL28583712 | 0.80 | ALDH1A1 (0.52) | KMT2ACYP2C19RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28571282 | 0.78 | ALDH1A1 (0.68) | KMT2ACYP2C19RAB9AHTTKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778156-B | Bishydrazide structure compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-03-14 | — | — | CN | claimed |
| CN-112778156-A | Bishydrazide structure compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-11 | — | — | CN | claimed |
| CN-112778156-B | Bishydrazide structure compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-03-14 | — | — | CN | disclosed |
| CN-112778156-A | Bishydrazide structure compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-11 | — | — | CN | disclosed |