Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408861 | 0.86 | TRPA1 (0.40) | TRPA1NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL28416960 | 0.85 | RAB9A (0.41) | TRPA1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28417056 | 0.83 | TRPA1 (0.33) | TRPA1MEN1KMT2AGAA | |
| SCHEMBL28414014 | 0.83 | NPC1 (0.34) | TRPA1NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL28403711 | 0.83 | MEN1 (0.36) | TRPA1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28164664 | 0.83 | MEN1 (0.49) | TRPA1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL28822189 | 0.83 | TRPA1 (0.37) | TRPA1MEN1KMT2AALDH1A1 | |
| SCHEMBL28404070 | 0.80 | NPC1 (0.53) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL28403705 | 0.80 | ALDH1A1 (0.39) | TRPA1RAB9ATSHRALDH1A1MAPT | |
| SCHEMBL28408807 | 0.80 | RAB9A (0.44) | NPC1RAB9AKDM4ETSHRKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114560814-B | Synthesis method of substituted 2, 3-naphthyridine ketone compound | 天津理工大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-111116487-B | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-111116487-A | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2020-05-08 | — | — | CN | disclosed |