Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 7/20 | 0.42 |
| ▸ | AURKA | O14965 | 7/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.42 |
| ▸ | GSK3B | P49841 | 4/20 | 0.42 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2961623 | 0.82 | AURKB (0.55) | SIRT2NPC1MITFXBP1RAB9A | |
| SCHEMBL2957800 | 0.81 | AURKB (0.52) | NPC1RAB9AAURKBAURKASRC | |
| SCHEMBL1818637 | 0.80 | AURKA (0.53) | SIRT2AURKBAURKACHRNA7 | |
| SCHEMBL1532353 | 0.80 | AURKB (0.53) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL1056935 | 0.79 | GRM4 (0.58) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL61951 | 0.79 | PTPN1 (0.51) | NPC1RAB9AAURKBAURKASRC | |
| SCHEMBL1148104 | 0.79 | CHRNA7 (0.47) | SIRT2NPC1MITFXBP1RAB9A | |
| SCHEMBL1054819 | 0.78 | JAK2 (0.51) | NPC1RAB9ANPSR1NOD2KMT2A | |
| SCHEMBL12657163 | 0.76 | AURKA (0.52) | SIRT2AURKBAURKACHRNA7CYP1A2 | |
| SCHEMBL13025060 | 0.76 | AURKA (0.54) | SIRT2NPC1RAB9ANPSR1AURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2478361-A2 | PROTEIN KINASE CONJUGATES AND INHIBITORS | Avila Therapeutics, Inc. (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011034907-A2 | PROTEIN KINASE CONJUGATES AND INHIBITORS | AVILA THERAPEUTICS, INC. (US) | 2011-03-24 | — | — | WO | disclosed |