Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 5/20 | 0.35 |
| ▸ | CCR5 | P51681 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27694589 | 0.90 | CCR5 (0.33) | CCR5LMNAGPR119DPP4DPP7 | |
| SCHEMBL27694627 | 0.89 | CCR5 (0.33) | S1PR2CCR5LMNAGPR119DPP4 | |
| SCHEMBL27676117 | 0.83 | TGM2 (0.31) | TGM2 | |
| SCHEMBL4977808 | 0.80 | KMT2A (0.41) | S1PR2ALDH1A1KMT2AL3MBTL1LMNA | |
| SCHEMBL27694579 | 0.74 | MAOB (0.36) | S1PR2ALDH1A1KMT2AL3MBTL1LMNA | |
| SCHEMBL28763206 | 0.73 | OPRD1 (0.32) | OPRD1 | |
| SCHEMBL27676119 | 0.72 | PTGS1 (0.32) | — | |
| SCHEMBL27694590 | 0.71 | PTGS2 (0.34) | OPRD1 | |
| SCHEMBL27694630 | 0.69 | CTSK (0.31) | — | |
| SCHEMBL4978743 | 0.68 | LMNA (0.38) | CCR5KMT2ALMNAGPR119 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101006057-A | Novel piperidine/8-azabicyclo [3.2.1] octan derivatives as moduilators of chemokine receptor CCR5 | ASTRAZENECA AB (SE) | 2007-07-25 | — | — | CN | disclosed |