Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | SLC26A4 | O43511 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL2006841 | 0.94 | CYP3A4 (0.37) | CYP3A4CYP2C9FAAHNPC1LMNA | |
| SCHEMBL2005400 | 0.93 | PPARG (0.36) | CYP3A4CYP2C9FAAHPTGS1PTGDR2 | |
| SCHEMBL2004824 | 0.92 | PTGES2 (0.36) | CYP2C9FAAHPTGS1PTGDR2NPC1 | |
| SCHEMBL2005377 | 0.92 | L3MBTL1 (0.36) | CYP3A4CYP2C9FAAHLMNATAAR1 | |
| SCHEMBL2005131 | 0.91 | FAAH (0.41) | CYP3A4CYP2C9FAAHPTGDR2MAPT | |
| SCHEMBL2004961 | 0.90 | FAAH (0.33) | FAAHPTGS1PTGDR2NPC1LMNA | |
| SCHEMBL2008690 | 0.90 | PLA2G2A (0.38) | CYP3A4CYP2C9PTGDR2LMNATP53 | |
| SCHEMBL2003600 | 0.90 | LMNA (0.40) | CYP3A4CYP2C9LMNASMN1; SMN2TAAR1 | |
| SCHEMBL2006660 | 0.90 | CYP2C9 (0.37) | CYP3A4CYP2C9FAAHPTGS1PTGDR2 | |
| SCHEMBL1999823 | 0.90 | F2RL3 (0.36) | CYP3A4CYP2C9LMNASMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |