Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | LTK | P29376 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | PRKX | P51817 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.47 |
| ▸ | MST1R | Q04912 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27710103 | 0.86 | BTK (0.37) | PLK4CHEK1AURKADAPK3MAP4K4 | |
| SCHEMBL30809709 | 0.80 | PLK4 (0.58) | PLK4CHEK1AURKADAPK3MAP4K4 | |
| SCHEMBL27690173 | 0.79 | METAP2 (0.49) | AURKACSF1RKDRFLT3ROCK1 | |
| SCHEMBL28766239 | 0.79 | TRPA1 (0.47) | PLK4CHEK1AURKADAPK3MAP4K4 | |
| SCHEMBL27690186 | 0.77 | FTO (0.43) | AURKAROCK1NOS1HSD17B10CYP1A2 | |
| SCHEMBL27710125 | 0.77 | TRPA1 (0.38) | FGFR1BTKLRRK2 | |
| SCHEMBL29520722 | 0.75 | PLK4 (0.72) | PLK4CHEK1AURKADAPK3MAP4K4 | |
| SCHEMBL259689 | 0.75 | PLK4 (0.72) | PLK4CHEK1AURKADAPK3MAP4K4 | |
| SCHEMBL27487899 | 0.75 | KDM4E (0.58) | KDM4EHPGDALDH1A1HSD17B10MEN1 | |
| SCHEMBL27690287 | 0.74 | FGFR1 (0.54) | FGFR1BTKHSD17B10CYP1A2CYP3A4 |
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-101119969-A | Aryl and heteroaryl substituted tetrahydroisoquinolines and their use to block reuptake of norepinephrine, dopamine, and serotonin | AMR TECHNOLOGY INC (US) | 2008-02-06 | — | — | CN | claimed |
| CN-103880827-A | Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RES INC | 2014-06-25 | — | — | CN | disclosed |
| CN-101119969-A | Aryl and heteroaryl substituted tetrahydroisoquinolines and their use to block reuptake of norepinephrine, dopamine, and serotonin | AMR TECHNOLOGY INC (US) | 2008-02-06 | — | — | CN | disclosed |