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 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.38 |
| ▸ | FEN1 | P39748 | 3/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | GRM8 | O00222 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419266 | 0.86 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL12988505 | 0.85 | KDM1A (0.49) | KDM1AALOX5APFEN1GRM7DGAT1 | |
| SCHEMBL27262486 | 0.84 | KDM1A (0.45) | KDM1AALOX5APFEN1DGAT1CYP17A1 | |
| SCHEMBL9419311 | 0.83 | CCR1 (0.43) | CCR1CCR5CCR8HDAC6KDM1A | |
| SCHEMBL9419342 | 0.81 | RAB9A (0.42) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL27262509 | 0.80 | KDM1A (0.42) | KDM1ADGAT1 | |
| SCHEMBL27262107 | 0.80 | KDM1A (0.42) | KDM1AALOX5APFEN1DGAT1CYP11B1 | |
| SCHEMBL9346729 | 0.80 | RAB9A (0.41) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL9562728 | 0.80 | RAB9A (0.41) | CCR1CCR5CCR8HDAC6PTGS2 | |
| SCHEMBL9419312 | 0.80 | RAB9A (0.41) | CCR1CCR5CCR8HDAC6PTGS2 |
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 4 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 |
| CN-1023699-C | Difluoromethyl compounds | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | CN | 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 |
| CN-1039797-A | difluoromethyl compound | MERCK PATENT GMBH (DE) | 1990-02-21 | — | — | CN | disclosed |