Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4389111 | 0.97 | LMNA (0.37) | PTGES2RETFAAHALDH1A1LMNA | |
| SCHEMBL2008663 | 0.95 | L3MBTL1 (0.36) | PTGES2RETFAAHALDH1A1LMNA | |
| SCHEMBL2004824 | 0.95 | PTGES2 (0.36) | PTGES2RETFAAHALDH1A1LMNA | |
| SCHEMBL2002979 | 0.94 | LMNA (0.39) | PTGES2RETFAAHALDH1A1LMNA | |
| SCHEMBL2001047 | 0.93 | PLA2G2A (0.37) | ALDH1A1MAPTKDM4EHPGDCYP1A2 | |
| SCHEMBL2003814 | 0.92 | F2RL3 (0.36) | PTGES2RETFAAHALDH1A1LMNA | |
| SCHEMBL2006329 | 0.92 | LMNA (0.38) | FAAHALDH1A1LMNAMAPTALOX12 | |
| SCHEMBL2002134 | 0.91 | PTGES2 (0.42) | PTGES2FAAHALDH1A1LMNAMAPT | |
| SCHEMBL2006841 | 0.91 | CYP3A4 (0.37) | FAAHALDH1A1LMNAMAPTALOX12 | |
| SCHEMBL2009494 | 0.89 | FAAH (0.37) | PTGES2FAAHALDH1A1LMNAMAPT |
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 |