Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2005515 | 0.98 | PTGS1 (0.39) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2012415 | 0.97 | PTGDR2 (0.39) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2004807 | 0.91 | PTGS1 (0.38) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2001575 | 0.90 | PTGS1 (0.38) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2003676 | 0.90 | PTGS1 (0.38) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2007813 | 0.90 | PTGS1 (0.40) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2008383 | 0.87 | AKR1C3 (0.36) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2001827 | 0.85 | PTGS1 (0.41) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2005629 | 0.85 | AKR1C3 (0.36) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 | |
| SCHEMBL2009474 | 0.84 | PTGDR2 (0.37) | PTGS1PTGS2PTGDR2ABCB1AKR1C3 |
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 |