Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | FNTA | P49354 | 1/20 | 0.49 |
| ▸ | FNTB | P49356 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.49 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28583698 | 0.87 | POLB (0.63) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28914765 | 0.87 | KMT2A (0.63) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28588260 | 0.86 | KMT2A (0.58) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28569744 | 0.83 | SMN1; SMN2 (0.62) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28571282 | 0.81 | ALDH1A1 (0.68) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28573979 | 0.81 | SMN1; SMN2 (0.58) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28566966 | 0.81 | MAPT (0.70) | HTTSMN1; SMN2KDM4ECYP2C19RAB9A | |
| SCHEMBL28583712 | 0.80 | ALDH1A1 (0.52) | SMN1; SMN2CYP2C19RAB9ALMNAMAPT | |
| SCHEMBL28575018 | 0.78 | MAPT (0.55) | SMN1; SMN2CYP2C19RAB9APOLBLMNA | |
| SCHEMBL11311425 | 0.78 | CACNA1B (0.69) | HTTSMN1; SMN2KDM4EPOLBGAA |
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 |