Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 5/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004532 | 0.94 | PTGES2 (0.42) | PTGES2FAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2003185 | 0.91 | PTGES2 (0.41) | PTGES2FAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2011368 | 0.91 | PTGES2 (0.41) | PTGES2FAAHKDM4EALDH1A1MAPT | |
| SCHEMBL2005825 | 0.91 | RET (0.38) | PTGES2FAAHRAB9ANPC1KDM4E | |
| SCHEMBL2002122 | 0.91 | PTGES2 (0.41) | PTGES2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2006683 | 0.90 | MAPK1 (0.47) | PTGES2FAAHCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2000862 | 0.90 | PTGES2 (0.43) | PTGES2FAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2003594 | 0.90 | FAAH (0.47) | PTGES2FAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2009227 | 0.90 | CYP1A2 (0.42) | PTGES2FAAHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2007848 | 0.89 | PTGES2 (0.45) | PTGES2FAAHKDM4EALDH1A1HPGD |
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 |