Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.55 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2324292 | 0.86 | NPC1 (0.78) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL1170729 | 0.85 | ALDH1A1 (0.57) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL6262977 | 0.84 | NPC1 (0.79) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL3337335 | 0.84 | NPC1 (0.60) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL6262352 | 0.84 | NPC1 (0.57) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL419326 | 0.83 | NPC1 (0.71) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL179157 | 0.82 | NPC1 (0.63) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL31027945 | 0.81 | HDAC6 (0.61) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL7569217 | 0.81 | ALDH1A1 (0.51) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL21705378 | 0.81 | HDAC6 (0.61) | ALDH1A1NPC1KDM4ERAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |