Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4386795 | 0.88 | PTGS2 (0.45) | PTGS2PTGS1AKR1C3GLO1HIF1A | |
| SCHEMBL2004898 | 0.88 | PTGS2 (0.46) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL3004878 | 0.87 | PTGS2 (0.63) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL5555383 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL2004081 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL5559439 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL5798162 | 0.85 | AKR1C3 (0.47) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL3005871 | 0.84 | AKR1C3 (0.64) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL5801077 | 0.83 | AKR1C3 (0.47) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 | |
| SCHEMBL6428307 | 0.81 | AKR1C3 (0.44) | PTGS2PTGS1AKR1C3AKR1C2ABCB1 |
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 |