Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL2003317 | 0.95 | L3MBTL1 (0.38) | CYP2C9CYP3A4TAAR1LMNAALDH1A1 | |
| SCHEMBL2006660 | 0.94 | CYP2C9 (0.37) | CYP2C9CYP3A4TAAR1LMNAALDH1A1 | |
| SCHEMBL2002674 | 0.93 | LMNA (0.43) | CYP2C9CYP3A4TAAR1LMNAALDH1A1 | |
| SCHEMBL2002487 | 0.92 | LMNA (0.40) | CYP2C9CYP3A4LMNAALDH1A1MAPT | |
| SCHEMBL2004240 | 0.92 | PLA2G2A (0.39) | CYP2C9CYP3A4LMNAALDH1A1MAPT | |
| SCHEMBL2005303 | 0.91 | SLC26A4 (0.38) | CYP2C9CYP3A4LMNAMAPTFAAH | |
| SCHEMBL2009494 | 0.90 | FAAH (0.37) | CYP2C9CYP3A4LMNAALDH1A1MAPT | |
| SCHEMBL2010345 | 0.90 | MEN1 (0.38) | CYP3A4LMNAMAPTALOX12MAPK1 | |
| SCHEMBL2006841 | 0.89 | CYP3A4 (0.37) | CYP2C9CYP3A4TAAR1LMNAALDH1A1 | |
| SCHEMBL2001356 | 0.89 | FAAH (0.37) | CYP2C9CYP3A4TAAR1LMNAALDH1A1 |
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 |