Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 7/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4993507 | 0.74 | DRD2 (0.49) | C5AR1POLBKDM4EALDH1A1GAA | |
| SCHEMBL633539 | 0.72 | PARP1 (0.36) | POLBKDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL632949 | 0.72 | TSHR (0.48) | C5AR1POLBKDM4EL3MBTL1TSHR | |
| SCHEMBL633043 | 0.70 | TSHR (0.43) | C5AR1POLBALDH1A1GAAL3MBTL1 | |
| SCHEMBL12140835 | 0.69 | CACNB4 (0.33) | C5AR1POLBALDH1A1L3MBTL1TSHR | |
| SCHEMBL633430 | 0.69 | GAA (0.43) | POLBKDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL5580485 | 0.68 | OPRL1 (0.34) | POLBKDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL2676013 | 0.67 | OPRM1 (0.48) | POLBALDH1A1GRIN1GRIN2BGAA | |
| SCHEMBL9116396 | 0.67 | GRIN1 (0.47) | ALDH1A1GRIN1GRIN2BPARP1 | |
| SCHEMBL14336757 | 0.67 | SLC18A3 (0.45) | POLBALDH1A1GRIN2BGAAL3MBTL1 |
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-2419418-A1 | 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010121036-A1 | 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-21 | — | — | WO | disclosed |