Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5406329 | 0.82 | EPHX2 (0.59) | KMT2AEPHX2LMNAALDH1A1TSHR | |
| SCHEMBL5678990 | 0.80 | EPHX2 (0.62) | KMT2AEPHX2LMNAALDH1A1TSHR | |
| SCHEMBL3854141 | 0.80 | EPHX2 (0.62) | KMT2AEPHX2LMNAALDH1A1TSHR | |
| SCHEMBL1075076 | 0.79 | ALDH1A1 (0.49) | KMT2AEPHX2LMNAALDH1A1TSHR | |
| SCHEMBL25568411 | 0.77 | ALDH1A1 (0.52) | KMT2AEPHX2LMNAALDH1A1TSHR | |
| SCHEMBL5116668 | 0.73 | KMT2A (0.65) | KMT2AEPHX2LMNAALDH1A1KDM4E | |
| SCHEMBL1072478 | 0.73 | ALDH1A1 (0.50) | LMNAALDH1A1TSHR | |
| SCHEMBL135696 | 0.72 | KMT2A (0.44) | KMT2AEPHX2LMNAALDH1A1KDM4E | |
| SCHEMBL3712266 | 0.71 | LMNA (0.58) | EPHX2LMNAALDH1A1TSHRCNR2 | |
| SCHEMBL3322713 | 0.71 | HTT (0.53) | KMT2AEPHX2LMNAALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776293-B | Method for preparing 1, 3-diketone compound from alkynone | 温州大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |