Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL28605790 | 0.83 | CTBP2 (0.48) | HTTSMN1; SMN2CTBP2ALDH1A1KMT2A | |
| SCHEMBL28920257 | 0.83 | HPGD (0.44) | SMN1; SMN2CTBP2KMT2ATDP1L3MBTL1 | |
| SCHEMBL28604758 | 0.82 | HTT (0.44) | HTTTP53SMN1; SMN2CTBP2ALDH1A1 | |
| SCHEMBL28605788 | 0.81 | TSHR (0.45) | SMN1; SMN2ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL28608951 | 0.79 | ACACB (0.40) | TP53SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL28613558 | 0.77 | KMT2A (0.45) | HTTPKMALDH1A1KMT2AMEN1 | |
| SCHEMBL28609788 | 0.77 | L3MBTL1 (0.44) | KMT2AL3MBTL1MEN1 | |
| SCHEMBL10445335 | 0.73 | HTT (0.58) | HTTUSP2TP53SMN1; SMN2LDHA | |
| SCHEMBL28608905 | 0.72 | CTBP2 (0.44) | PKMCTBP2ALDH1A1L3MBTL1NPC1 | |
| SCHEMBL28824698 | 0.72 | NPC1 (0.57) | HTTUSP2TP53SMN1; SMN2CTBP2 |
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-109942612-B | Diyne enamine compound and preparation method and application thereof | 北京大学深圳研究生院 | 2021-08-20 | — | — | CN | disclosed |