Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 11/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.49 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5575575 | 0.84 | S1PR3 (0.57) | S1PR3S1PR1S1PR4S1PR2SLC6A2 | |
| SCHEMBL9640678 | 0.81 | GLS (0.48) | S1PR3S1PR1S1PR4S1PR2SLC6A2 | |
| SCHEMBL5573778 | 0.78 | ROCK2 (0.46) | S1PR3S1PR1S1PR4S1PR2SLC6A2 | |
| SCHEMBL6719076 | 0.73 | MAPT (0.56) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4595463 | 0.73 | ADRB3 (0.44) | CYP2C19 | |
| SCHEMBL4371128 | 0.72 | TRPM8 (0.41) | S1PR3S1PR1S1PR4S1PR2SLC6A2 | |
| SCHEMBL25342655 | 0.72 | CNR1 (0.45) | S1PR3S1PR4CYP2C19ALDH1A1 | |
| SCHEMBL25342652 | 0.72 | CNR1 (0.45) | S1PR3S1PR4CYP2C19ALDH1A1 | |
| SCHEMBL31749408 | 0.72 | S1PR3 (0.58) | S1PR3S1PR1S1PR4S1PR2 | |
| SCHEMBL15226465 | 0.72 | MEN1 (0.45) | ALDH1A1SMN1; SMN2ACP3 |
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-1924265-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007022371-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |