Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 6/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SLC26A4 | O43511 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2005303 | 0.93 | SLC26A4 (0.38) | MAPTSLC26A4POLBCYP3A4CYP2C9 | |
| SCHEMBL2006669 | 0.93 | PLA2G2A (0.41) | PLA2G2APTGDR2MAPTTP53SLC26A4 | |
| SCHEMBL2006262 | 0.92 | CYP2C9 (0.40) | MAPTGSK3BCYP3A4CYP2C9F10 | |
| SCHEMBL2003366 | 0.92 | TP53 (0.39) | PLA2G2APTGDR2MAPTTP53SLC26A4 | |
| SCHEMBL2005733 | 0.90 | MEN1 (0.45) | PLA2G2AMAPTCYP3A4CYP2C9MEN1 | |
| SCHEMBL2008690 | 0.90 | PLA2G2A (0.38) | PLA2G2APTGDR2MAPTTP53SLC26A4 | |
| SCHEMBL2002262 | 0.90 | PLA2G2A (0.37) | PLA2G2APTGDR2MAPTTP53SLC26A4 | |
| SCHEMBL2006660 | 0.90 | CYP2C9 (0.37) | PTGDR2MAPTTP53SLC26A4POLB | |
| SCHEMBL2003317 | 0.89 | L3MBTL1 (0.38) | MAPTGSK3BCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2003840 | 0.88 | FAAH (0.40) | — |
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 |