Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | EBP | Q15125 | 2/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5131320 | 0.89 | SIGMAR1 (0.42) | SIGMAR1KCNH2FDPSTHRATHRB | |
| SCHEMBL2883843 | 0.86 | SIGMAR1 (0.49) | SIGMAR1SLC6A2SLC6A4SLC6A3FDPS | |
| SCHEMBL26985749 | 0.81 | SIGMAR1 (0.70) | SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25047608 | 0.79 | SIGMAR1 (0.66) | SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10000659 | 0.79 | SIGMAR1 (0.54) | SIGMAR1TMEM97KCNH2THRATHRB | |
| SCHEMBL25046697 | 0.79 | TAAR1 (0.58) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26985700 | 0.76 | SIGMAR1 (0.73) | SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL242199 | 0.76 | CA2 (0.45) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9671108 | 0.76 | KCNH2 (0.57) | SIGMAR1SLC6A2SLC6A4SLC6A3SMPD1 | |
| SCHEMBL158758 | 0.74 | CA2 (0.47) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |