Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.51 |
| ▸ | ITGAV | P06756 | 2/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14842465 | 0.93 | RAB9A (0.58) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28584691 | 0.80 | KDM4E (0.57) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28609335 | 0.80 | RAB9A (0.55) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28589799 | 0.80 | KCNQ2 (0.61) | HTTRAB9ACYP1A2CYP2C19NPC1 | |
| SCHEMBL6718773 | 0.80 | RAB9A (0.55) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4819698 | 0.80 | CYP1A2 (0.58) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6718687 | 0.80 | RAB9A (0.55) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6727015 | 0.79 | CYP1A2 (0.53) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6715799 | 0.79 | CYP1A2 (0.53) | HTTRAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3497579 | 0.78 | RAB9A (0.56) | HTTRAB9ACYP1A2CYP3A4CYP2D6 |
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-112778154-B | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-112778154-A | Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-05-11 | — | — | CN | disclosed |