Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871017 | 0.78 | MAOA (0.58) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL3951624 | 0.78 | KDM4E (0.52) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL15114905 | 0.78 | KCNH2 (0.56) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL28631737 | 0.77 | CYP1A2 (0.46) | KDM4EHPGDSMN1; SMN2TP53HSD17B10 | |
| SCHEMBL28615991 | 0.75 | CYP1A2 (0.57) | KDM4EHPGDSMN1; SMN2TP53HSD17B10 | |
| SCHEMBL229311 | 0.72 | CXCR4 (0.68) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL30487250 | 0.72 | CXCR4 (0.68) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL20185840 | 0.71 | HDAC3 (0.60) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL10119479 | 0.70 | MAOA (0.53) | KDM4EMAOAMAOBNPC1RAB9A | |
| SCHEMBL15830499 | 0.70 | NOS2 (0.67) | KDM4EMAOAMAOBNPC1RAB9A |
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-113330009-B | Azacyclic compounds, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-113330009-A | Nitrogen heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-08-31 | — | — | CN | disclosed |