Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL34463098 | 1.00 | TAAR1 (0.58) | TAAR1HRH1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL192791 | 0.84 | SLC6A2 (0.43) | TAAR1HRH1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL28797165 | 0.81 | SLC6A2 (0.41) | TAAR1HRH1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL29474958 | 0.81 | SLC6A2 (0.41) | TAAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL3361287 | 0.81 | SLC6A2 (0.41) | TAAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL5428834 | 0.81 | SLC6A2 (0.41) | TAAR1HRH1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL11974049 | 0.81 | HTR1A (0.49) | TAAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL3842137 | 0.81 | TAAR1 (0.63) | TAAR1HRH1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL14378254 | 0.78 | THRA (0.43) | TAAR1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL9844331 | 0.78 | CA1 (0.41) | TAAR1SLC6A2SLC6A4KCNH2SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3082810-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-2900223-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-08-05 | — | — | EP | disclosed |
| WO-2015094929-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| EP-0447645-A1 | Aralkylesulfonyl ureas | BAYER AG (DE) | 1991-09-25 | — | — | EP | disclosed |