Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4386800 | 0.88 | PTGS2 (0.50) | PTGS2AKR1C3PTGS1HTR1APKM | |
| SCHEMBL12255241 | 0.82 | PTGS2 (0.62) | PTGS2CNR2AKR1C3PTGS1HTR1A | |
| SCHEMBL5797673 | 0.81 | PTGS2 (0.43) | PTGS2AKR1C3PTGS1 | |
| SCHEMBL5797670 | 0.81 | PTGS2 (0.43) | PTGS2AKR1C3PTGS1 | |
| SCHEMBL2004898 | 0.80 | PTGS2 (0.46) | PTGS2AKR1C3PTGS1GLO1HIF1A | |
| SCHEMBL5797099 | 0.80 | PTGS2 (0.40) | PTGS2AKR1C3PTGS1 | |
| SCHEMBL5798162 | 0.79 | AKR1C3 (0.47) | PTGS2AKR1C3PTGS1HTR1APKM | |
| SCHEMBL5799946 | 0.79 | PTGS2 (0.43) | PTGS2AKR1C3PTGS1GLO1HIF1A | |
| SCHEMBL5799952 | 0.79 | PTGS2 (0.43) | PTGS2AKR1C3PTGS1GLO1HIF1A | |
| SCHEMBL3004878 | 0.79 | PTGS2 (0.63) | PTGS2AKR1C3PTGS1HTR1APKM |
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 3 patents. 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 |
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |