Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.34 |
| ▸ | SELP | P16109 | 1/20 | 0.34 |
| ▸ | SELE | P16581 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL15243536 | 0.79 | NOS3 (0.45) | KDM4ECCR1CCR5CCR8KMT2A | |
| SCHEMBL27070674 | 0.76 | KMT2A (0.41) | CCR1CCR5CCR8KMT2ACYP1A2 | |
| SCHEMBL16114807 | 0.74 | KDM4E (0.43) | KDM4EHCAR2HCRTR1 | |
| SCHEMBL29912244 | 0.74 | KDM4E (0.43) | KDM4EHCAR2HCRTR1 | |
| SCHEMBL27070678 | 0.73 | ACHE (0.38) | KDM4ECCR1CCR5CCR8KMT2A | |
| SCHEMBL20135912 | 0.72 | ERN1 (0.38) | KDM4ECCR1CCR5CCR8KMT2A | |
| SCHEMBL27070677 | 0.72 | KMT2A (0.38) | CCR1CCR5CCR8KMT2APDK2 | |
| SCHEMBL16115391 | 0.71 | ATM (0.46) | KDM4EHCRTR1HTT | |
| SCHEMBL3894660 | 0.71 | CYP19A1 (0.35) | KDM4ECCR1CCR8CYP19A1CYP1A2 | |
| SCHEMBL3894293 | 0.69 | KDM4E (0.40) | KDM4ECCR1CCR5CCR8KMT2A |
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-2370426-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | Glaxo Group Limited (GB) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010063663-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | WO | disclosed |