Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9710451 | 0.98 | TYR (0.47) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL9723218 | 0.98 | TYR (0.47) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL9710326 | 0.98 | TYR (0.47) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL7461780 | 0.98 | TYR (0.47) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL9723288 | 0.98 | TYR (0.47) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL14634080 | 0.94 | TYR (0.44) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL7526800 | 0.90 | TYR (0.41) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL6889220 | 0.86 | CTSL (0.39) | TYR | |
| SCHEMBL13235167 | 0.85 | TYR (0.42) | TYRALOX5TP53CYP3A4MEN1 | |
| SCHEMBL7764711 | 0.81 | LIPG (0.47) | TYRALOX5TP53CYP3A4MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0363458-A1 | 2,3-DIFLUOROBENZENES. | MERCK PATENT GMBH (DE) | 1990-04-18 | — | — | EP | disclosed |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |