Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16892219 | 0.85 | ALDH1A1 (0.45) | ALDH1A1KMT2ALMNATDP1HSD17B10 | |
| SCHEMBL27824428 | 0.83 | LMNA (0.43) | ALDH1A1KMT2ALMNAGAAMTNR1A | |
| SCHEMBL11349832 | 0.82 | LMNA (0.50) | ALDH1A1KMT2ALMNAGAACYP1A2 | |
| SCHEMBL16892160 | 0.78 | TDP1 (0.56) | ALDH1A1KMT2ATDP1HSD17B10MTNR1A | |
| SCHEMBL955696 | 0.76 | TDP1 (0.42) | ALDH1A1KMT2ALMNATDP1HSD17B10 | |
| SCHEMBL23036030 | 0.75 | LMNA (0.75) | ALDH1A1KMT2ALMNATDP1GAA | |
| SCHEMBL8311249 | 0.74 | TTR (0.58) | ALDH1A1KMT2ALMNAGAACYP1A2 | |
| SCHEMBL28264412 | 0.73 | ABCG2 (0.44) | ALDH1A1KMT2ALMNATDP1GAA | |
| SCHEMBL28643377 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TDP1HSD17B10CYP1A2GSK3B | |
| SCHEMBL920261 | 0.73 | ALDH1A1 (0.66) | ALDH1A1KMT2ALMNATDP1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015101294-A1 | COMPOUNDS WITH ANALGESIC ACTIVITY AND MEDICAL USE THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 | 2015-07-09 | — | — | WO | disclosed |