Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729187 | 0.84 | CHEK2 (0.37) | CHEK2TGFBR1SPHK2SPHK1SMPD3 | |
| SCHEMBL3350408 | 0.84 | SMPD3 (0.46) | CHEK2PTGDR2SMPD3PIK3CBLRRK2 | |
| SCHEMBL2728335 | 0.80 | TGFBR1 (0.42) | TGFBR1PIK3CBNPC1RAB9AS100A4 | |
| SCHEMBL2728014 | 0.80 | PDE10A (0.54) | CHEK2TGFBR1RAB9AEIF4E | |
| SCHEMBL2726265 | 0.80 | TGFBR1 (0.38) | TGFBR1PIK3CBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2729192 | 0.74 | CHEK2 (0.40) | CHEK2PTGDR2SMPD3RAB9ASMN1; SMN2 | |
| SCHEMBL1932926 | 0.73 | CHEK2 (0.38) | CHEK2TGFBR1PTGDR2SMPD3PIK3CB | |
| SCHEMBL3347230 | 0.73 | CHEK2 (0.41) | CHEK2PTGDR2SMPD3NPC1RAB9A | |
| SCHEMBL1933814 | 0.72 | CHEK2 (0.41) | CHEK2TGFBR1SPHK2SPHK1PIK3CB | |
| SCHEMBL2726308 | 0.71 | TGFBR1 (0.46) | TGFBR1NPC1RAB9ASMN1; SMN2S100A4 |
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-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |