Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28920257 | 0.86 | HPGD (0.44) | TDP1LMNAGAAKMT2AHPGD | |
| SCHEMBL28605788 | 0.84 | TSHR (0.45) | POLBKDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL28607997 | 0.82 | ANPEP (0.40) | CYP2D6CYP2C9CYP2C19MAPTALOX15 | |
| SCHEMBL28610799 | 0.82 | HTT (0.47) | HTTTDP1CYP3A4KDM4ETP53 | |
| SCHEMBL28608951 | 0.82 | ACACB (0.40) | LMNAMAPTTP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL28613558 | 0.80 | KMT2A (0.45) | HTTCYP2C19POLBLMNAMAPT | |
| SCHEMBL28609788 | 0.77 | L3MBTL1 (0.44) | KMT2A | |
| SCHEMBL28608905 | 0.75 | CTBP2 (0.44) | POLBALDH1A1CTBP2NPC1 | |
| SCHEMBL28612288 | 0.74 | PTGES (0.40) | — | |
| SCHEMBL28623769 | 0.74 | PIK3CA (0.45) | MAPTKMT2AHPGDALDH1A1CTBP2 |
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 |