Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 3/20 | 0.42 |
| ▸ | MMP13 | P45452 | 3/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16399968 | 1.00 | KDM4E (0.42) | KDM4ESMN1; SMN2MMP1MMP13ADAM17 | |
| SCHEMBL22980126 | 0.94 | KDM4E (0.44) | KDM4ESMN1; SMN2POLBMAPK1PDK2 | |
| SCHEMBL4555085 | 0.94 | KDM4E (0.44) | KDM4ESMN1; SMN2POLBMAPK1PDK2 | |
| SCHEMBL16530314 | 0.94 | KDM4E (0.44) | KDM4ESMN1; SMN2POLBMAPK1PDK2 | |
| SCHEMBL5591231 | 0.86 | SMN1; SMN2 (0.33) | KDM4ESMN1; SMN2MMP1MMP13ADAM17 | |
| SCHEMBL25362444 | 0.86 | SMN1; SMN2 (0.33) | KDM4ESMN1; SMN2MMP1MMP13ADAM17 | |
| SCHEMBL28198767 | 0.86 | SMN1; SMN2 (0.33) | KDM4ESMN1; SMN2MMP1MMP13ADAM17 | |
| SCHEMBL22040436 | 0.85 | MAPK10 (0.43) | KDM4ESMN1; SMN2MMP1MMP13ADAM17 | |
| SCHEMBL9595842 | 0.82 | POLB (0.46) | KDM4ESMN1; SMN2POLBFKBP1ACNR2 | |
| SCHEMBL9595849 | 0.82 | POLB (0.46) | KDM4ESMN1; SMN2POLBFKBP1ACNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105555783-B | Include the autotaxin inhibitors of heteroaromatic rings benzyl amide ring core | 诺华股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105555783-A | Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |