Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2005678 | 0.91 | STAT3 (0.35) | STAT3PTGES2ALDH1A1POLBKDM4E | |
| SCHEMBL2002093 | 0.90 | LMNA (0.40) | FAAHCES1ALDH1A1POLBMEN1 | |
| SCHEMBL2006169 | 0.88 | FAAH (0.43) | FAAHCES1MCL1CTSDGUSB | |
| SCHEMBL2006154 | 0.87 | DRD2 (0.37) | S1PR3STAT3PTGES2ALDH1A1POLB | |
| SCHEMBL2003713 | 0.86 | MCL1 (0.39) | MCL1CTSDGUSBPTGES2ALDH1A1 | |
| SCHEMBL2004941 | 0.85 | GRM5 (0.38) | FAAHCES1ALDH1A1MEN1LMNA | |
| SCHEMBL2001534 | 0.85 | HDAC6 (0.41) | S1PR1PTGES2ALDH1A1POLBKDM4E | |
| SCHEMBL2005704 | 0.83 | FAAH (0.39) | FAAHCES1MCL1PTGES2ALDH1A1 | |
| SCHEMBL2002391 | 0.82 | L3MBTL1 (0.39) | FAAHCES1S1PR3ALDH1A1MEN1 | |
| SCHEMBL2004742 | 0.82 | STAT3 (0.35) | FAAHSTAT3PTGES2ALDH1A1KDM4E |
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 |