Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | JUN | P05412 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30926418 | 0.87 | KDM4E (0.56) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Cinnamic Acid SCHEMBL660182 | 0.78 | HDAC1 (0.50) | MAPTCYP1A2CYP1B1CYP2D6ALDH1A1 | |
| SCHEMBL334615 | 0.76 | RAB9A (0.76) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| SCHEMBL29416684 | 0.76 | RAB9A (0.76) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| SCHEMBL755249 | 0.76 | RAB9A (0.76) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| SCHEMBL334614 | 0.76 | RAB9A (0.76) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL27850886 | 0.74 | RAB9A (0.73) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Hydrochloric Acid SCHEMBL10810828 | 0.74 | RAB9A (0.73) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| SCHEMBL10898888 | 0.74 | RAB9A (0.73) | MAPTRAB9AKDM4EMAPK1NPC1 | |
| Nicotinaldehyde SCHEMBL30567623 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118772048-A | HDAC inhibitor and application thereof | 微境生物医药科技(上海)有限公司 | 2024-10-15 | — | — | CN | disclosed |