Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 6/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2009136 | 0.94 | MAPT (0.40) | MAPTMEN1KMT2APTGES2PTGES | |
| SCHEMBL2002922 | 0.92 | MAPT (0.35) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2005007 | 0.91 | PTGES2 (0.40) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2006486 | 0.91 | PTGES2 (0.41) | LMNAMEN1KMT2APTGES2PTGES | |
| SCHEMBL2001735 | 0.89 | MAPT (0.42) | S1PR3MAPTPKMGAAALDH1A1 | |
| SCHEMBL2004953 | 0.89 | PLA2G2A (0.45) | MAPTPKMALDH1A1LMNAMEN1 | |
| SCHEMBL2008218 | 0.87 | ALOX5AP (0.41) | S1PR3PLA2G2A | |
| SCHEMBL2002572 | 0.86 | HSD17B10 (0.36) | S1PR3MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL2004983 | 0.85 | PTGES2 (0.42) | MAPTGAAALDH1A1KDM4EMEN1 | |
| SCHEMBL2007961 | 0.85 | STAT3 (0.34) | S1PR3MAPTPKMGAAALDH1A1 |
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 |