Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | FASN | P49327 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK3 | P49761 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31506582 | 0.88 | NPC1 (0.46) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL11507433 | 0.84 | ESR1 (0.52) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL24702286 | 0.84 | NPC1 (0.49) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL17679198 | 0.81 | NPC1 (0.53) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL261022 | 0.80 | NPC1 (0.74) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL30917341 | 0.80 | NPC1 (0.74) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL8861663 | 0.78 | NPC1 (0.53) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL27609695 | 0.78 | NPC1 (0.72) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL4155826 | 0.78 | NPC1 (0.53) | NPC1RAB9AKDM4EHKDC1TDP1 | |
| SCHEMBL27609657 | 0.78 | NPC1 (0.72) | NPC1RAB9AKDM4EHKDC1TDP1 |
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-109419802-B | Compounds having dopamine D3 receptor modulating activity and uses thereof | 中国人民解放军军事医学科学院毒物药物研究所（CN） | 2023-01-13 | — | — | CN | disclosed |