Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLL | Q9UGP5 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21331833 | 0.90 | HTR1A (0.41) | HTR1ADRD2MEN1KMT2ARPS6KA2 | |
| SCHEMBL15056054 | 0.86 | CA1 (0.36) | HTR1ACA1CA2CA7CA9 | |
| SCHEMBL26556073 | 0.84 | HTR1A (0.37) | HTR1ADRD2MEN1KMT2ARPS6KA2 | |
| SCHEMBL30751957 | 0.84 | HTR1A (0.40) | HTR1ADRD2MEN1KMT2ARPS6KA2 | |
| SCHEMBL29375643 | 0.84 | HTR1A (0.37) | HTR1ADRD2MEN1KMT2ARPS6KA2 | |
| SCHEMBL31669654 | 0.83 | HTR1A (0.36) | HTR1ADRD2MEN1KMT2ARPS6KA2 | |
| SCHEMBL31175024 | 0.80 | MEN1 (0.38) | HTR1ADRD2MEN1KMT2ATOP1 | |
| SCHEMBL8960493 | 0.80 | ABCB1 (0.35) | RPS6KA2ABCB1SMN1; SMN2HPGDPOLL | |
| SCHEMBL1102294 | 0.79 | ABCB1 (0.43) | DRD2ABCB1SMN1; SMN2HPGDCA1 | |
| SCHEMBL21331896 | 0.79 | DRD2 (0.38) | HTR1ADRD2MEN1KMT2ARPS6KA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3245206-A1 | PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. Hoffmann-La Roche AG (CH) | 2017-11-22 | — | — | EP | disclosed |
| WO-2016113273-A1 | PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-21 | — | — | WO | disclosed |
| EP-2635565-A1 | 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS | Amgen Inc. (US) | 2013-09-11 | — | — | EP | disclosed |
| EP-2552908-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | Amgen Inc. (US) | 2013-02-06 | — | — | EP | disclosed |
| WO-2012061696-A1 | 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS | AMGEN INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2011123751-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | AMGEN INC. (US) | 2011-10-06 | — | — | WO | disclosed |