Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2008593 | 0.84 | PTGS2 (0.57) | PTGS1PTGS2TSHRLMNAMAPT | |
| SCHEMBL2002792 | 0.74 | PTGS2 (0.63) | PTGS1PTGS2TSHRLMNAMAPT | |
| SCHEMBL2010420 | 0.73 | PTGS2 (0.62) | PTGS1PTGS2TSHRLMNAMAPT | |
| SCHEMBL2005483 | 0.71 | PTGS1 (0.35) | PTGS1PTGS2KDM4EALDH1A1 | |
| SCHEMBL6425755 | 0.71 | PTGS2 (0.52) | PTGS1PTGS2LMNAMAPTKDM4E | |
| SCHEMBL6424257 | 0.71 | PTGS2 (0.52) | PTGS1PTGS2LMNAMAPTKDM4E | |
| SCHEMBL6424473 | 0.71 | PTGS2 (0.59) | PTGS1PTGS2LMNAMAPTKDM4E | |
| SCHEMBL6423345 | 0.71 | PTGS2 (0.59) | PTGS1PTGS2LMNAMAPTKDM4E | |
| SCHEMBL6425457 | 0.70 | PTGS2 (0.50) | PTGS1PTGS2SMN1; SMN2KDM4E | |
| SCHEMBL5554136 | 0.70 | PTGS2 (0.50) | PTGS1PTGS2LMNAMAPTKDM4E |
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 |