Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 7/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL9419245 | 0.88 | CCR1 (0.44) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL12738795 | 0.86 | PTGS2 (0.41) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419317 | 0.84 | RAB9A (0.45) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419334 | 0.83 | RAB9A (0.44) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL4402602 | 0.80 | CCR1 (0.54) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419266 | 0.79 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419311 | 0.77 | CCR1 (0.43) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419342 | 0.75 | RAB9A (0.42) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL14979563 | 0.75 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6FEN1 | |
| SCHEMBL9419277 | 0.74 | CCR1 (0.47) | CCR1CCR5CCR8HDAC6FEN1 |
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-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |