Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 6/20 | 0.39 |
| ▸ | CES1 | P23141 | 5/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL2004657 | 0.93 | FAAH (0.38) | FAAHCES1NCEH1NPC1RAB9A | |
| SCHEMBL2002177 | 0.91 | MAPT (0.38) | FAAHCES1NCEH1NPC1RAB9A | |
| SCHEMBL2002147 | 0.91 | ALDH1A1 (0.37) | KDM4EALDH1A1LMNAMITFMAPT | |
| SCHEMBL2002574 | 0.90 | FAAH (0.42) | FAAHCES1NCEH1NPC1RAB9A | |
| SCHEMBL2003477 | 0.89 | LMNA (0.40) | FAAHCES1NCEH1NPC1RAB9A | |
| SCHEMBL2004726 | 0.89 | OPRK1 (0.42) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL2003713 | 0.88 | MCL1 (0.39) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL1997685 | 0.88 | FAAH (0.42) | FAAHCES1NCEH1NPC1RAB9A | |
| SCHEMBL2004999 | 0.87 | ALOX5AP (0.40) | MAPTKMT2ACYP3A4CYP2C9 | |
| SCHEMBL2007109 | 0.87 | LMNA (0.44) | FAAHCES1NCEH1NPC1RAB9A |
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 |