Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2003594 | 0.96 | FAAH (0.47) | NPC1RAB9ARECQLFAAHCES1 | |
| SCHEMBL2000862 | 0.89 | PTGES2 (0.43) | NPC1RAB9ARECQLFAAHCES1 | |
| SCHEMBL2006336 | 0.88 | FAAH (0.38) | NPC1RAB9ARECQLFAAHCES1 | |
| SCHEMBL2008862 | 0.87 | PLA2G2A (0.49) | NPC1RAB9AFAAHKDM4EALDH1A1 | |
| SCHEMBL2003170 | 0.86 | RAB9A (0.45) | NPC1RAB9AFAAHCES1KDM4E | |
| SCHEMBL2002059 | 0.85 | FAAH (0.49) | FAAHKDM4EALDH1A1TSHRGAA | |
| SCHEMBL2008741 | 0.85 | PTGES2 (0.44) | NPC1RAB9ARECQLFAAHCES1 | |
| SCHEMBL2005383 | 0.85 | MAPK1 (0.51) | FAAHALDH1A1TSHRGAAMAPT | |
| SCHEMBL2007909 | 0.84 | FAAH (0.48) | FAAHALDH1A1TSHRGAAMAPT | |
| SCHEMBL2000438 | 0.82 | FAAH (0.49) | FAAHKDM4EALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |