Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL458398 | 0.84 | HTT (0.49) | KCNH2TMEM97SIGMAR1PPARAADRB2 | |
| SCHEMBL2453696 | 0.83 | CA2 (0.52) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL457964 | 0.83 | LMNA (0.44) | KCNH2TMEM97SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL4860328 | 0.82 | CA2 (0.51) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL13250641 | 0.81 | HIF1A (0.45) | KCNH2CA12CA1CA2CA5A | |
| SCHEMBL12124783 | 0.80 | HDAC1 (0.53) | KCNH2TMEM97SIGMAR1SMN1; SMN2CALM1 | |
| SCHEMBL458350 | 0.80 | KCNH2 (0.50) | KCNH2TMEM97SIGMAR1PPARAADRB2 | |
| SCHEMBL2959929 | 0.80 | CA2 (0.55) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL31490068 | 0.80 | CA2 (0.55) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL13250643 | 0.79 | KCNH2 (0.51) | KCNH2TMEM97SIGMAR1CA2CALM1 |
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-2012032532-A1 | \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ | SYMED LABS LIMITED (IN) | 2012-03-15 | — | — | WO | disclosed |