Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004625 | 0.94 | CYP2C9 (0.40) | CYP3A4CYP2C9LMNAKMT2ATSHR | |
| SCHEMBL2008233 | 0.92 | LMNA (0.39) | FAAHCYP3A4CYP2C9LMNAKMT2A | |
| SCHEMBL2001978 | 0.91 | FAAH (0.45) | FAAHCYP2C9KMT2AMEN1HTT | |
| SCHEMBL1996791 | 0.91 | PTGES2 (0.38) | FAAHCYP3A4CYP2C9LMNAKMT2A | |
| SCHEMBL2003297 | 0.91 | L3MBTL1 (0.38) | CYP3A4CYP2C9LMNAKMT2ATSHR | |
| SCHEMBL2006426 | 0.90 | LMNA (0.43) | CYP3A4CYP2C9LMNAKMT2ATSHR | |
| SCHEMBL2008195 | 0.90 | FAAH (0.36) | FAAHCYP3A4CYP2C9LMNAKMT2A | |
| SCHEMBL2003542 | 0.90 | MAPT (0.39) | CYP3A4CYP2C9LMNAKMT2ATSHR | |
| SCHEMBL2007905 | 0.90 | FAAH (0.37) | FAAHCYP3A4CYP2C9LMNAKMT2A | |
| SCHEMBL2007346 | 0.89 | ALOX5AP (0.39) | CYP3A4CYP2C9LMNAKMT2AMEN1 |
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 |