Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.60 |
| ▸ | NPC1 | O15118 | 8/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | APP | P05067 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520357 | 0.80 | RAB9A (0.60) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3073946 | 0.76 | RAB9A (0.69) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL827403 | 0.75 | RAB9A (0.67) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL221431 | 0.75 | NPC1 (1.00) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL408832 | 0.74 | NPC1 (0.59) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL14379008 | 0.74 | AURKA (0.60) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL28205214 | 0.73 | RAB9A (0.64) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| Hydrogen Sulfide SCHEMBL16859912 | 0.73 | RAB9A (0.64) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| Methane SCHEMBL28056221 | 0.73 | RAB9A (0.64) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12075531 | 0.73 | KDM4E (0.81) | RAB9ANPC1KDM4EALDH1A1SMN1; SMN2 |
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-2024119866-A1 | BENZOTHIAZOLE PYRIMIDINEAMINE DYRK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 江苏天士力帝益药业有限公司 | 2024-06-13 | — | — | WO | disclosed |