Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16497719 | 0.85 | TAAR1 (0.43) | TAAR1AOC3OPRK1OPRM1DRD3 | |
| SCHEMBL6771923 | 0.84 | AOC3 (0.45) | TAAR1AOC3KCNH2HTR2AHTR2C | |
| SCHEMBL102928 | 0.83 | TSHR (0.42) | AOC3MCHR1L3MBTL1BCHE | |
| Ammonia Solution, Strong SCHEMBL4465336 | 0.81 | TSHR (0.41) | AOC3MCHR1L3MBTL1BCHE | |
| SCHEMBL6958576 | 0.79 | OPRM1 (0.44) | OPRK1OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL457227 | 0.76 | TAAR1 (0.47) | TAAR1AOC3OPRM1DRD3CHRM2 | |
| SCHEMBL5799874 | 0.73 | TSHR (0.41) | AOC3HTR2AHTR2CHTR2BL3MBTL1 | |
| SCHEMBL1344100 | 0.71 | OPRK1 (0.65) | TAAR1AOC3OPRK1OPRM1DRD3 | |
| SCHEMBL14673301 | 0.70 | CNR2 (0.44) | AOC3L3MBTL1BCHE | |
| SCHEMBL13858441 | 0.70 | PIK3CD (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103492377-B | As the triazolopyridine compounds of PIM kinase inhibitor | ARRAY BIOPHARMA INC. (US) | 2016-04-20 | — | — | CN | disclosed |
| CN-102015693-B | Compounds as ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103492377-A | Triazolopyridine compounds as PIM kinase inhibitors | ARRAY BIOPHARMA INC | 2014-01-01 | — | — | CN | disclosed |
| CN-102015693-A | Compounds as ERK inhibitors | SCHERING CORP | 2011-04-13 | — | — | CN | disclosed |
| US-5106853-A | Selective muscarinic agonist | MERCK SHARP & DOHME, LTD. (GB) | 1992-04-21 | — | — | US | disclosed |
| EP-0398629-A2 | An oxadiazole and its salts, their use in treating dementia, their preparation and formulations | MERCK SHARP & DOHME LTD. (GB) | 1990-11-22 | — | — | EP | disclosed |