Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | CD38 | P28907 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL30427691 | 0.88 | KDM4E (0.42) | CD38KDM4ECYP1A2MAPTHDAC6 | |
| SCHEMBL30427679 | 0.82 | HDAC3 (0.42) | KDM4ECYP1A2MAPTHDAC6HTT | |
| SCHEMBL27860624 | 0.76 | EPHX2 (0.51) | MMP12KDM4ERBP4ALDH1A1EPHX2 | |
| SCHEMBL12525192 | 0.72 | GRM5 (0.42) | CD38KDM4EMAPTHDAC6HTT | |
| SCHEMBL12818788 | 0.71 | CD38 (0.41) | CD38KDM4EMAPTHDAC6HTT | |
| SCHEMBL30612302 | 0.71 | KDM4E (0.42) | CD38KDM4ECYP1A2MAPTHDAC6 | |
| SCHEMBL844943 | 0.71 | KDM4E (0.42) | CD38KDM4ECYP1A2MAPTHDAC6 | |
| SCHEMBL19323875 | 0.71 | CD38 (0.47) | CD38HDAC6LMNASSTR4 | |
| SCHEMBL28062578 | 0.70 | ELANE (0.39) | CD38KDM4ECYP1A2MAPTHDAC6 | |
| SCHEMBL27582025 | 0.69 | SMN1; SMN2 (0.55) | MMP12CYP1A2HTTALDH1A1LMNA |
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-101454285-B | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA | 2012-06-27 | — | — | CN | disclosed |
| CN-101454285-A | Oxadiazole derivatives as comt inhibitors | PORTELA & CA SA (PT) | 2009-06-10 | — | — | CN | disclosed |