Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | KIF18A | Q8NI77 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1811182 | 0.88 | CYP1A2 (0.55) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL30080383 | 0.87 | CRBN (0.55) | CYP1A2KIF18AKMT2ACRBNALDH1A1 | |
| SCHEMBL31337804 | 0.84 | CYP1A2 (0.56) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL2810512 | 0.84 | CYP1A2 (0.59) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL22304477 | 0.81 | CYP1A2 (0.52) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL21875248 | 0.81 | CYP1A2 (0.62) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL28534611 | 0.80 | CYP1A2 (0.60) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL6967592 | 0.79 | CYP1A2 (0.59) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| SCHEMBL441409 | 0.78 | CYP1A2 (0.57) | CYP1A2NPC1RAB9AKDM4ERXFP1 | |
| Hydrochloric Acid SCHEMBL445411 | 0.78 | CYP1A2 (0.57) | CYP1A2NPC1RAB9AKDM4ERXFP1 |
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-2020156505-A1 | 2-AMIONPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINES | 江苏恒瑞医药股份有限公司 | 2020-08-06 | — | — | WO | disclosed |