Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HRH2 | P25021 | 3/20 | 0.51 |
| ▸ | HRH1 | P35367 | 3/20 | 0.51 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | CCKBR | P32239 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15545933 | 0.91 | KMT2A (0.63) | KMT2AMAPK1HRH2HRH1PABPC1 | |
| SCHEMBL29165165 | 0.91 | KMT2A (0.63) | KMT2AMAPK1HRH2HRH1PABPC1 | |
| Valeric Acid SCHEMBL28009887 | 0.85 | HRH2 (0.50) | HRH2HRH1CTSKCTSSITGB3 | |
| Valeric Acid SCHEMBL27839056 | 0.83 | HRH2 (0.52) | KMT2AMAPK1HRH2HRH1CTSK | |
| Valeric Acid SCHEMBL27945281 | 0.82 | HRH2 (0.48) | HRH2HRH1CTSKCTSSCTSL | |
| Valeric Acid SCHEMBL27945279 | 0.82 | CTSS (0.47) | HRH2HRH1CTSKCTSSITGB3 | |
| Thiomorpholine SCHEMBL9051897 | 0.82 | KMT2A (0.58) | KMT2AMAPK1HRH2HRH1PABPC1 | |
| SCHEMBL4900321 | 0.81 | KMT2A (0.67) | KMT2AMAPK1HRH2HRH1PABPC1 | |
| SCHEMBL5408063 | 0.81 | KMT2A (0.67) | KMT2AMAPK1HRH2HRH1PABPC1 | |
| SCHEMBL2795241 | 0.81 | KMT2A (0.52) | KMT2AMAPK1HRH2HRH1PABPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102369197-B | 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines used as ADP receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2013-11-06 | — | — | CN | disclosed |