Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 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 | |
|---|---|---|---|---|
| SCHEMBL28509408 | 1.00 | SIGMAR1 (0.41) | SIGMAR1HTTEPHX2CA1CA2 | |
| SCHEMBL475538 | 0.95 | CA1 (0.42) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL1061969 | 0.95 | CA1 (0.42) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL612827 | 0.95 | CA1 (0.42) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL743576 | 0.88 | CTSK (0.39) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL1487188 | 0.88 | CTSK (0.39) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL1265815 | 0.88 | CTSK (0.39) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL12791555 | 0.81 | CA1 (0.53) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL8227340 | 0.81 | CA1 (0.53) | SIGMAR1EPHX2CA1CA2CA12 | |
| SCHEMBL3835429 | 0.80 | ATM (0.42) | SIGMAR1ALDH1A1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2305671-A1 | Thiophene and thiazole derivatives as CHK1 inhibitors | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |