Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.30 |
| ▸ | TOP2A | P11388 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1117733 | 0.77 | MEN1 (0.33) | DPP4CTSSCTSLCTSBCNR2 | |
| SCHEMBL1117736 | 0.77 | DPP4 (0.31) | DPP4 | |
| SCHEMBL63495 | 0.70 | ITGB3 (0.37) | CTSSCTSLCTSBCYP3A4CTSK | |
| SCHEMBL2633971 | 0.67 | — | — | |
| SCHEMBL25699119 | 0.66 | TOP2A (0.40) | JAK2JAK1TOP2AALDH1A1KMT2A | |
| SCHEMBL63843 | 0.66 | PTGIR (0.38) | CHRM2CHRM1CHRM3CTSSCTSL | |
| SCHEMBL6392396 | 0.65 | CXCR4 (0.47) | JAK2JAK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6243074 | 0.65 | LMNA (0.33) | CNR2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6695021 | 0.65 | LMNA (0.33) | CNR2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1117710 | 0.65 | CTSK (0.32) | TOP2ACTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |