Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 5/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29227091 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL29227100 | 0.81 | PRMT5 (0.52) | ALDH1A1CYP1A2TSHRNPSR1CYP2C19 | |
| SCHEMBL29227088 | 0.81 | LMNA (0.55) | CYP1A2TSHRNPSR1CYP2C19CNR2 | |
| SCHEMBL29227086 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HSD17B10CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL29227106 | 0.76 | TSHR (0.48) | CYP1A2TSHRNPSR1CYP2C19CNR2 | |
| SCHEMBL29227130 | 0.74 | TSHR (0.48) | ALDH1A1HSD17B10CYP1A2TSHRNPSR1 | |
| SCHEMBL30873571 | 0.72 | HRH3 (0.53) | MAPTTDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30873550 | 0.71 | LMNA (0.57) | ALDH1A1CNR2KMT2AHPGDKDM4E | |
| SCHEMBL20379519 | 0.71 | TSHR (0.76) | ALDH1A1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL29227135 | 0.70 | LMNA (0.58) | KMT2AKDM4ELMNA |
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-117946031-A | Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors | 北京大学 | 2024-04-30 | — | — | CN | claimed |
| CN-117946031-A | Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors | 北京大学 | 2024-04-30 | — | — | CN | disclosed |