Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL31384337 | 0.85 | HDAC8 (0.53) | SMPD1HDAC8NPC1RAB9AKDM4E | |
| SCHEMBL31384285 | 0.83 | KDM4E (0.62) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL11130394 | 0.83 | HTT (0.56) | SMPD1HTTHDAC8NPC1RAB9A | |
| SCHEMBL30968135 | 0.83 | NPC1 (0.61) | HTTHDAC8NPC1RAB9AKDM4E | |
| SCHEMBL31384264 | 0.82 | SMPD1 (0.73) | SMPD1HTTNPC1RAB9AKDM4E | |
| SCHEMBL8840247 | 0.81 | PTPN1 (0.68) | HTTHDAC8NPC1RAB9AKDM4E | |
| SCHEMBL15498835 | 0.81 | PTPN1 (0.63) | SMPD1HDAC8NPC1RAB9AKDM4E | |
| SCHEMBL11222701 | 0.80 | NPC1 (0.58) | HTTHDAC8NPC1RAB9AKDM4E | |
| SCHEMBL30968143 | 0.80 | PKM (0.61) | SMPD1HTTNPC1RAB9AKDM4E | |
| SCHEMBL163935 | 0.78 | CA1 (0.68) | HTTNPC1RAB9AKDM4EALDH1A1 |
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-118344308-A | Aromatic hydrazide dithiocarbonic diester compound and preparation method and application thereof | 天津天开瑞来有限公司 | 2024-07-16 | — | — | CN | disclosed |