Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 13/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCR9 | P51686 | 3/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4384057 | 0.90 | CCR2 (0.58) | CCR2GPR35CCR9ABCB11 | |
| SCHEMBL3001949 | 0.87 | CCR2 (0.55) | CCR2GPR35CCR9ABCB11 | |
| SCHEMBL2995558 | 0.84 | CCR2 (0.56) | CCR2GPR35CCR9ABCB11 | |
| SCHEMBL3005519 | 0.80 | CCR2 (0.60) | CCR2GPR35CCR9ABCB11 | |
| SCHEMBL2993976 | 0.77 | CCR2 (0.48) | CCR2GPR35CCR9ABCB11 | |
| SCHEMBL3002097 | 0.75 | CCR2 (0.57) | CCR2GPR35KMT2ACCR9ABCB11 | |
| SCHEMBL2999654 | 0.74 | F10 (0.45) | CCR2GPR35ABCB11 | |
| SCHEMBL38664699 | 0.74 | CCR2 (0.59) | CCR2CCR9ABCB11 | |
| SCHEMBL3096637 | 0.73 | MAPT (0.52) | CCR2KMT2A | |
| SCHEMBL3119623 | 0.72 | CCR2 (0.55) | CCR2GPR35CCR9ABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |