Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 2-Chloropyridine SCHEMBL27562267 | 0.82 | TDP1 (0.55) | ADRA2AADRA2BADRA2CNPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL28020917 | 0.80 | DGAT1 (0.32) | KDM4E | |
| Ethoxycarbonyl Group SCHEMBL27414264 | 0.79 | MAPT (0.40) | NPC1RAB9AKDM4ESMN1; SMN2MAPK1 | |
| Ethoxycarbonyl Group SCHEMBL28116314 | 0.78 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28800612 | 0.77 | NFE2L2 (0.46) | NPC1TSHRRAB9ASMN1; SMN2MAPK1 | |
| Ether SCHEMBL14695893 | 0.76 | HDAC8 (0.38) | NPC1TSHRRAB9AKDM4EMITF | |
| Ethoxycarbonyl Group SCHEMBL23300856 | 0.76 | FAAH (0.31) | — | |
| 1,2-Dichlorobenzene SCHEMBL27256387 | 0.75 | LMNA (0.43) | NPC1TSHRRAB9AKDM4EMAPK1 | |
| Benzene SCHEMBL18406222 | 0.75 | ALDH1A1 (0.32) | KDM4EMAPK1 | |
| Pyridazine SCHEMBL27770139 | 0.74 | — | — |
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-103554036-B | The preparation method of a kind of 2-chloro-4-substituted pyrimidines compounds | CHEMSHUTTLE, INC. (CN) | 2016-01-20 | — | — | CN | claimed |