Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4413676 | 0.85 | MAPT (0.44) | MAPK1TP53ALDH1A1HPGDMAPT | |
| SCHEMBL10610499 | 0.79 | MAPT (0.44) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL28378287 | 0.75 | TSHR (0.36) | ALDH1A1MAPTNPC1RAB9AHTT | |
| SCHEMBL4419122 | 0.75 | — | — | |
| SCHEMBL29994134 | 0.74 | RAB9A (0.39) | MAPTNPC1RAB9APOLBGAA | |
| SCHEMBL28268381 | 0.74 | EPHX2 (0.58) | MAPK1ALDH1A1HPGDMAPTRAB9A | |
| SCHEMBL28730376 | 0.74 | ALDH1A1 (0.50) | MAPK1ALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL4561823 | 0.74 | PKM (0.63) | MAPK1TP53GSK3AGSK3BPOLB | |
| SCHEMBL2462955 | 0.72 | — | — | |
| SCHEMBL3081010 | 0.72 | — | — |
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-114903848-A | Transdermal preparation | 阿根塔创新有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-106455560-B | Use of malononitrile compounds for protecting animals against parasites | 勃林格殷格翰动物保健美国公司 | 2020-12-22 | — | — | CN | disclosed |