Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL2004314 | 0.95 | RET (0.39) | RETL3MBTL1S1PR1LMNAMAPT | |
| SCHEMBL2002558 | 0.92 | RET (0.39) | RETL3MBTL1S1PR1LMNAMAPT | |
| SCHEMBL2005007 | 0.92 | PTGES2 (0.40) | RETS1PR1MAPTALDH1A1ALOX12 | |
| SCHEMBL2000706 | 0.92 | RET (0.39) | RETL3MBTL1S1PR1LMNAMAPT | |
| SCHEMBL2003892 | 0.91 | L3MBTL1 (0.36) | RETL3MBTL1LMNAMAPTALDH1A1 | |
| SCHEMBL2006526 | 0.90 | L3MBTL1 (0.39) | RETL3MBTL1LMNAMAPTALDH1A1 | |
| SCHEMBL2010388 | 0.90 | MAPT (0.39) | RETL3MBTL1LMNAMAPTCYP17A1 | |
| SCHEMBL2007600 | 0.89 | S1PR1 (0.40) | RETL3MBTL1S1PR1LMNAMAPT | |
| SCHEMBL2004983 | 0.88 | PTGES2 (0.42) | RETS1PR1MAPTALDH1A1ALOX12 | |
| SCHEMBL2000312 | 0.87 | LMNA (0.39) | RETL3MBTL1LMNAMAPTALDH1A1 |
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 |