Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13764995 | 0.82 | TLR7 (0.40) | PKMTLR8NPC1RAB9AKDM4E | |
| SCHEMBL28056515 | 0.78 | PKM (0.37) | CYP1A2CYP2C9CYP2C19PKMTLR8 | |
| SCHEMBL27998678 | 0.78 | AURKA (0.39) | PKMTLR8NPC1RAB9AKDM4E | |
| SCHEMBL13529499 | 0.76 | TLR8 (0.41) | TLR8MCHR1 | |
| SCHEMBL3642529 | 0.76 | ADORA2A (0.39) | PKMTLR8RAB9AKDM4EMEN1 | |
| SCHEMBL18985318 | 0.74 | RXRA (0.40) | CYP1A2TLR8NPC1RAB9ATLR7 | |
| SCHEMBL3417147 | 0.74 | HASPIN (0.39) | CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL27998668 | 0.74 | NPC1 (0.44) | TLR8NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL27998703 | 0.74 | MAPK1 (0.43) | PKMNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL27998657 | 0.73 | TLR7 (0.44) | PKMTLR8NPC1RAB9AKDM4E |
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-2018086593-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE | 礼沃（上海）医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |