Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.36 |
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 | 0.83 | HPGD (0.44) | ACACBLMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL28604758 | 0.82 | HTT (0.44) | TP53MAPTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL28605788 | 0.81 | TSHR (0.45) | TSHRMAPTSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL28610799 | 0.79 | HTT (0.47) | TP53SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL28613558 | 0.77 | KMT2A (0.45) | TSHRMAPTLMNAALDH1A1 | |
| SCHEMBL28609788 | 0.74 | L3MBTL1 (0.44) | NR1H4NLRP3 | |
| SCHEMBL28608905 | 0.72 | CTBP2 (0.44) | CACNA1IALDH1A1NPC1 | |
| SCHEMBL28607997 | 0.71 | ANPEP (0.40) | TSHRMAPTRAB9A | |
| SCHEMBL28623769 | 0.71 | PIK3CA (0.45) | EPHX2TSHRMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL28612288 | 0.71 | PTGES (0.40) | — |
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 |