Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | GAK | O14976 | 2/20 | 0.31 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.31 |
| ▸ | STK16 | O75716 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.31 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899766 | 0.83 | NQO2 (0.38) | ALOX5APFEN1NQO2HPGDSMN1; SMN2 | |
| SCHEMBL16213743 | 0.79 | ACACB (0.36) | ALOX5APFEN1ACACBNQO2HPGD | |
| SCHEMBL25411688 | 0.78 | LRRK2 (0.46) | LRRK2TRPM8ALOX5APFEN1HPGD | |
| SCHEMBL16213742 | 0.76 | SMN1; SMN2 (0.53) | LRRK2NQO2HPGDSMN1; SMN2 | |
| SCHEMBL2067547 | 0.74 | LRRK2 (0.36) | LRRK2MAOA | |
| SCHEMBL15900936 | 0.74 | SMN1; SMN2 (0.39) | ALOX5APFEN1ACACBNQO2HPGD | |
| SCHEMBL25228489 | 0.73 | NOS2 (0.35) | LRRK2ALOX5APFEN1 | |
| SCHEMBL30610404 | 0.72 | NQO2 (0.39) | ALOX5APFEN1NQO2SMN1; SMN2MAOA | |
| SCHEMBL1845046 | 0.72 | LRRK2 (0.40) | LRRK2TRPM8ALOX5APFEN1HCRTR1 | |
| SCHEMBL28190331 | 0.71 | MAOA (0.48) | ALOX5APFEN1NQO2HPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102762548-B | Isoindolinone inhibitors of phosphatidylinositol 3-kinase | VERTEX PHARMA | 2014-11-26 | — | — | CN | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |