Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MPL | P40238 | 1/20 | 0.43 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.41 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.41 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 3/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27237206 | 0.81 | TGFBR1 (0.48) | BACE1MPLGUCY1B2GUCY1A2OPRK1 | |
| SCHEMBL28296096 | 0.81 | NPC1 (0.50) | MPLKDM4EADORA2ANPC1FEN1 | |
| SCHEMBL31530991 | 0.79 | NUDT1 (0.40) | GUCY1B2GUCY1A2OPRK1GUCY1A1GUCY1B1 | |
| SCHEMBL31530995 | 0.79 | NUDT1 (0.40) | GUCY1B2GUCY1A2OPRK1GUCY1A1GUCY1B1 | |
| SCHEMBL27615816 | 0.78 | CYP1A2 (0.51) | BACE1ALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL22578253 | 0.78 | NPC1 (0.40) | MPLKDM4EALDH1A1NPC1PKM | |
| SCHEMBL28335609 | 0.78 | CYP1A2 (0.60) | BACE1ALDH1A1ADORA2ANPC1PKM | |
| SCHEMBL22578252 | 0.78 | NPC1 (0.40) | MPLKDM4EALDH1A1NPC1PKM | |
| SCHEMBL8363964 | 0.78 | CYP1A2 (0.44) | KDM4EALDH1A1TGFBR1ADORA2ANPC1 | |
| SCHEMBL31517695 | 0.78 | NPC1 (0.46) | MPLKDM4EALDH1A1NPC1PKM |
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-104262263-B | N,6 diphenylpyrimidine-4-amine Bcr-Abl inhibitors as well as preparation method and application thereof | 西安交通大学 | 2017-01-11 | — | — | CN | disclosed |