Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005377 | 0.95 | L3MBTL1 (0.36) | CYP3A4CYP2C9TAAR1LMNAMAPK1 | |
| SCHEMBL2002947 | 0.94 | CYP3A4 (0.35) | CYP3A4CYP2C9TAAR1LMNAMAPK1 | |
| SCHEMBL2003600 | 0.94 | LMNA (0.40) | CYP3A4CYP2C9TAAR1LMNAMAPK1 | |
| SCHEMBL2006329 | 0.92 | LMNA (0.38) | CYP3A4CYP2C9LMNAALDH1A1MAPT | |
| SCHEMBL2008690 | 0.92 | PLA2G2A (0.38) | CYP3A4CYP2C9LMNAMAPK1ALDH1A1 | |
| SCHEMBL1999823 | 0.92 | F2RL3 (0.36) | CYP3A4CYP2C9LMNAMAPTF10 | |
| SCHEMBL2000666 | 0.91 | PTGES2 (0.35) | CYP3A4CYP2C9LMNAMAPK1ALDH1A1 | |
| SCHEMBL2004214 | 0.91 | CCR9 (0.37) | CYP3A4CYP2C9MAPTALOX12TSHR | |
| SCHEMBL2006267 | 0.90 | FAAH (0.35) | CYP3A4CYP2C9LMNAMAPK1ALDH1A1 | |
| SCHEMBL2006262 | 0.89 | CYP2C9 (0.40) | CYP3A4CYP2C9TAAR1LMNAMAPK1 |
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 |