Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 4/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21191731 | 0.82 | CYP1A2 (0.36) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL22461930 | 0.82 | FDPS (0.36) | CCR2CYP1A2KDM4ENPC1CYP2D6 | |
| SCHEMBL7498448 | 0.82 | FDPS (0.36) | CCR2CYP1A2KDM4ENPC1CYP2D6 | |
| SCHEMBL22023884 | 0.79 | CYP1A2 (0.34) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL21191705 | 0.79 | CCR2 (0.37) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL26653572 | 0.79 | CYP1A2 (0.34) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL28802145 | 0.79 | PRCP (0.41) | CYP1A2PRCPKDM4ENPC1CYP2D6 | |
| SCHEMBL23634135 | 0.77 | CCR2 (0.38) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL22024596 | 0.77 | CCR2 (0.38) | CCR2CCR1CCR5CXCR4CYP1A2 | |
| SCHEMBL21707875 | 0.77 | PRCP (0.35) | CYP1A2PRCPKDM4ENPC1CYP2D6 |
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-0600955-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993003725-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-04 | — | — | WO | disclosed |