Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12124783 | 0.92 | HDAC1 (0.53) | HDAC1HDAC2CALM1KCNH2TMEM97 | |
| SCHEMBL12233056 | 0.88 | CALM1 (0.55) | HDAC1HDAC2CALM1TMEM97SIGMAR1 | |
| SCHEMBL13250643 | 0.87 | KCNH2 (0.51) | CALM1KCNH2TMEM97SIGMAR1KDM4E | |
| SCHEMBL579301 | 0.87 | NPC1 (0.55) | HDAC1HDAC2CALM1KDM4ESMN1; SMN2 | |
| SCHEMBL5873476 | 0.87 | CALM1 (0.67) | HDAC1HDAC2CALM1KDM4EATM | |
| SCHEMBL12328267 | 0.86 | SIGMAR1 (0.51) | TMEM97SIGMAR1KDM4EMAPK1 | |
| SCHEMBL458350 | 0.86 | KCNH2 (0.50) | CALM1KCNH2TMEM97SIGMAR1KDM4E | |
| SCHEMBL13098004 | 0.84 | ATM (0.66) | KDM4EATMALDH1A1POLB | |
| SCHEMBL296593 | 0.84 | ATM (0.66) | KDM4EATMALDH1A1POLB | |
| SCHEMBL29446268 | 0.84 | ATM (0.66) | KDM4EATMALDH1A1POLB |
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 |