Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938817 | 0.95 | ESR2 (0.35) | CTSLCTSSCTSKESR2 | |
| SCHEMBL9419285 | 0.95 | MEN1 (0.31) | ESR2 | |
| SCHEMBL8938947 | 0.94 | ESR2 (0.34) | CTSLCTSSCTSKESR2 | |
| SCHEMBL9419308 | 0.94 | CYP3A4 (0.33) | — | |
| SCHEMBL9419301 | 0.91 | CYP1A2 (0.31) | ESR2 | |
| SCHEMBL9406033 | 0.91 | ESR2 (0.35) | ESR2 | |
| SCHEMBL8938842 | 0.91 | ESR2 (0.35) | ESR2 | |
| SCHEMBL8938830 | 0.91 | ESR2 (0.35) | ESR2 | |
| SCHEMBL8938948 | 0.90 | ESR2 (0.34) | ESR2 | |
| SCHEMBL8938956 | 0.90 | ESR2 (0.34) | ESR2 |
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 |