Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.48 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6780426 | 0.87 | ABCB11 (0.62) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL6599360 | 0.86 | ABCB11 (0.77) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL6775631 | 0.84 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL5679154 | 0.82 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL6780026 | 0.82 | ABCB11 (0.64) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL6782501 | 0.82 | ABCB11 (0.58) | ABCB11NOD2NOD1CCR2KMT2A | |
| SCHEMBL7084148 | 0.81 | ABCB11 (0.61) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL5679412 | 0.81 | ABCB11 (0.63) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL7007261 | 0.80 | ABCB11 (0.62) | ABCB11NOD2NOD1CCR2MAPT | |
| SCHEMBL7098037 | 0.80 | ABCB11 (0.59) | ABCB11NOD2NOD1CCR2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6737435-B1 | ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES | ASTRAZENECA AB (SE) | 2004-05-18 | — | — | US | disclosed |
| EP-1150952-A1 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046196-A1 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2000-08-10 | — | — | WO | disclosed |