Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2011820 | 0.84 | GRM5 (0.32) | HTR7MET | |
| SCHEMBL435264 | 0.83 | CYP1A2 (0.42) | PTGS2PTGS1SLC6A4SLC6A3ALDH1A3 | |
| SCHEMBL3978906 | 0.83 | CYP2A6 (0.50) | PTGS2PTGS1ALDH1A3RPS6KA3RET | |
| SCHEMBL2429097 | 0.81 | TAAR1 (0.43) | HTR7MAP4K4PRKACAGSK3BCLK4 | |
| SCHEMBL4281566 | 0.81 | CYP2A6 (0.48) | PTGS2ALDH1A3MAP4K4SMN1; SMN2ALDH1A1 | |
| SCHEMBL9788256 | 0.81 | PTGS2 (0.40) | PTGS2PTGS1SLC6A4SLC6A3NR4A2 | |
| SCHEMBL5584101 | 0.79 | IDO1 (0.32) | CYP2A6 | |
| SCHEMBL4394322 | 0.79 | CYP2A6 (0.32) | CYP2A6 | |
| SCHEMBL9667400 | 0.79 | MAPK1 (0.39) | SLC6A3MAPK14LCKCSF1RFGFR1 | |
| SCHEMBL6881481 | 0.79 | HPGD (0.36) | ALDH1A1NPC1RAB9AHSD17B10CYP2A6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005103015-A1 | TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS | REDDY US THERAPEUTICS, INC. (US) | 2005-11-03 | — | — | WO | claimed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | claimed |
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2005103015-A1 | TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS | REDDY US THERAPEUTICS, INC. (US) | 2005-11-03 | — | — | WO | disclosed |
| US-5104438-A | N-OXOAZOLYLMETHYLOXIRANES AND FUNGICIDES AND BIOREGULATORS CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1992-04-14 | — | — | US | disclosed |
| US-4216232-A | Pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1980-08-05 | — | — | US | disclosed |