Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30824963 | 1.00 | ALDH1A1 (0.37) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL24713334 | 0.83 | KDM4E (0.37) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL27164391 | 0.77 | IDO1 (0.33) | ALDH1A1MAPTSMN1; SMN2MAPK1HTT | |
| SCHEMBL30824939 | 0.77 | IDO1 (0.33) | ALDH1A1MAPTSMN1; SMN2MAPK1HTT | |
| SCHEMBL2245217 | 0.77 | SMN1; SMN2 (0.52) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL17544053 | 0.77 | TERT (0.39) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30402371 | 0.73 | PBRM1 (0.46) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL17544495 | 0.73 | PBRM1 (0.46) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL16990351 | 0.73 | IDO1 (0.41) | ALDH1A1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL17544330 | 0.72 | BRD4 (0.33) | HSD17B10CASP3 |
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-117545512-A | Deuterated compounds and imaging agents for imaging huntingtin | CHDI基金会股份有限公司 | 2024-02-09 | — | — | CN | disclosed |