Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.72 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30788044 | 1.00 | ALDH1A1 (0.72) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL30310929 | 0.94 | ALDH1A1 (0.72) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL24823394 | 0.94 | ALDH1A1 (0.72) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL666309 | 0.84 | KDM4E (1.00) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL31082315 | 0.84 | KDM4E (1.00) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL29588474 | 0.82 | KDM4E (0.51) | ALDH1A1KDM4EMAPTSMN1; SMN2MEN1 | |
| SCHEMBL24469644 | 0.82 | KDM4E (0.51) | ALDH1A1KDM4EMAPTSMN1; SMN2MEN1 | |
| SCHEMBL25166570 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL31108055 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL5666716 | 0.78 | KDM4E (0.81) | ALDH1A1KDM4EMAPTHSD17B10GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117580569-A | Heterocyclic aldehyde capture compounds and uses thereof | 奥尔德拉医疗公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-115843293-A | Tricyclic compound, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-03-24 | — | — | CN | disclosed |
| WO-2022267930-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-12-29 | — | — | WO | disclosed |