Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.49 |
| ▸ | RHEB | Q15382 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17002237 | 0.86 | GFER (0.62) | CASP6GFERSMN1; SMN2KDM4EGAA | |
| SCHEMBL3986081 | 0.85 | IP6K1 (0.53) | IP6K1CASP6GFERHTTMAPK1 | |
| SCHEMBL17265646 | 0.85 | MAPT (0.52) | IP6K1RHEBGFERHTTCA12 | |
| SCHEMBL23123759 | 0.83 | IP6K1 (0.50) | IP6K1CASP6GFERHTTMAPK1 | |
| SCHEMBL28094905 | 0.81 | LMNA (0.43) | HTTCA12CA1CA2CA9 | |
| SCHEMBL11299225 | 0.81 | GAA (0.59) | IP6K1CASP6GFERHTTMAPK1 | |
| SCHEMBL11299182 | 0.81 | MAPT (0.51) | IP6K1CASP6GFERHTTCA12 | |
| SCHEMBL11299382 | 0.81 | IP6K1 (0.49) | IP6K1CASP6GFERHTTMAPK1 | |
| SCHEMBL23293835 | 0.80 | IP6K1 (0.59) | IP6K1CASP6GFERHTTMAPK1 | |
| SCHEMBL18155100 | 0.80 | IP6K1 (0.55) | IP6K1CASP6GFERHTTMAPK1 |
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-2665724-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012097682-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |