Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28285145 | 0.96 | KDM4E (0.48) | HTTMAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL11029210 | 0.88 | KDM4E (0.44) | HTTMAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL7530972 | 0.84 | KDM4E (0.53) | MAPTALDH1A1KDM4EGAASMN1; SMN2 | |
| SCHEMBL27391515 | 0.81 | ALDH1A1 (0.57) | HTTMAPTMAPK1ALDH1A1KDM4E | |
| SCHEMBL8901392 | 0.81 | GAA (0.49) | HTTMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL13696659 | 0.81 | ALDH1A1 (0.51) | HTTMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL1758614 | 0.80 | ALDH1A1 (0.56) | HTTMAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL1758834 | 0.80 | ACHE (0.50) | MAPTMAPK1ALDH1A1KDM4ETSHR | |
| SCHEMBL28389628 | 0.80 | MAOB (0.49) | HTTMAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL2203559 | 0.80 | ALDH1A1 (0.56) | HTTMAPTALDH1A1OR51E2GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113322057-A | Adsorption inhibitor, preparation method and application thereof | 中国石油化工股份有限公司 | 2021-08-31 | — | — | CN | claimed |
| CN-113322057-B | Adsorption inhibitor, preparation method and application thereof | 中国石油化工股份有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-113322057-A | Adsorption inhibitor, preparation method and application thereof | 中国石油化工股份有限公司 | 2021-08-31 | — | — | CN | disclosed |