Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 12/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19336586 | 0.91 | CCR2 (0.47) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336460 | 0.88 | CCR2 (0.45) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336539 | 0.86 | CCR2 (0.55) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336533 | 0.81 | CCR2 (0.47) | CCR2 | |
| SCHEMBL19336535 | 0.80 | CCR2 (0.61) | CCR2MEN1KMT2AMAPTLMNA | |
| SCHEMBL19336525 | 0.80 | CCR2 (0.50) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336526 | 0.79 | CCR2 (0.44) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336601 | 0.77 | CCR2 (0.52) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336612 | 0.77 | CCR2 (0.52) | CCR2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL19336465 | 0.77 | CCR2 (0.56) | CCR2ADRA1AMAPTLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3050873-B1 | SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS | ALLERGAN INC (US) | 2017-09-13 | — | — | EP | disclosed |