Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14842450 | 0.81 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL15443192 | 0.80 | AAK1 (0.34) | NOS1NOS3NOS2HDAC6HDAC1 | |
| SCHEMBL9038784 | 0.80 | AAK1 (0.36) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL28012697 | 0.80 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL2713474 | 0.79 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL2713471 | 0.79 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL14842276 | 0.79 | HDAC6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL1494389 | 0.77 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL2027231 | 0.76 | HDAC6 (0.34) | HDAC6HDAC1HDAC2 | |
| SCHEMBL2027230 | 0.76 | HDAC6 (0.34) | HDAC6HDAC1HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116506-A1 | 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-18 | — | — | EP | disclosed |
| WO-2015138273-A1 | 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | WO | disclosed |