Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL2009144 | 0.94 | CYP3A4 (0.38) | MAPTALDH1A1ALOX5APALOX5CYP3A4 | |
| SCHEMBL1999915 | 0.92 | L3MBTL1 (0.39) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2003713 | 0.91 | MCL1 (0.39) | ALDH1A1CYP3A4CYP2C9KDM4ELMNA | |
| SCHEMBL2006387 | 0.91 | FAAH (0.41) | GAAALDH1A1ALOX5APALOX5CYP3A4 | |
| SCHEMBL2005117 | 0.89 | ALOX5AP (0.36) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2005862 | 0.89 | MAPT (0.41) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL1999222 | 0.89 | MAPT (0.40) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2002780 | 0.89 | ACHE (0.44) | MAPTPKMALDH1A1ALOX5APALOX5 | |
| SCHEMBL2002177 | 0.89 | MAPT (0.38) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL1999807 | 0.88 | ALOX5AP (0.42) | ALOX5APALOX5CYP3A4CYP2C9 |
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 |