Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | RECQL | P46063 | 1/20 | 0.66 |
| ▸ | RORC | P51449 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3509668 | 0.84 | HDAC1 (0.54) | MAPTPOLBGAARECQLRORC | |
| SCHEMBL733872 | 0.83 | CYP2C19 (0.58) | MAPTPOLBGAARECQLRORC | |
| SCHEMBL28341354 | 0.83 | MAPT (0.70) | MAPTPOLBGAARECQLTSHR | |
| SCHEMBL29978583 | 0.83 | MAPT (0.70) | MAPTPOLBGAARECQLTSHR | |
| SCHEMBL1283839 | 0.82 | MAPT (0.55) | MAPTPOLBGAARECQLRORC | |
| SCHEMBL1624948 | 0.82 | MAPT (0.55) | MAPTPOLBGAARECQLRORC | |
| SCHEMBL14671422 | 0.79 | RORC (1.00) | MAPTPOLBGAARORCTSHR | |
| SCHEMBL29568686 | 0.79 | RORC (1.00) | MAPTPOLBGAARORCTSHR | |
| SCHEMBL28823050 | 0.78 | RORC (0.52) | RORCCYP2C19TP53KDM4ENPC1 | |
| SCHEMBL641991 | 0.77 | KDM4E (0.69) | MAPTGAARORCCYP2C19CYP3A4 |
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-110494431-B | Azacyclo derivative, preparation method and medical application thereof | 苏州浦合医药科技有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-110494431-A | Nitrogen heterocycles derivative, preparation method and its medical usage | BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD | 2019-11-22 | — | — | CN | disclosed |