Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192300 | 0.93 | THRB (0.49) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL9458092 | 0.93 | THRB (0.49) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL12741762 | 0.92 | THRB (0.44) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL12738122 | 0.92 | THRB (0.44) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL9457709 | 0.90 | RARB (0.50) | THRBTHRASMN1; SMN2MAPTRARB | |
| SCHEMBL9562081 | 0.86 | THRB (0.43) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL12738186 | 0.85 | RARB (0.51) | THRBTHRASMN1; SMN2MAPTNPC1 | |
| SCHEMBL9398302 | 0.84 | THRB (0.42) | THRBTHRASMN1; SMN2NPC1RARB | |
| SCHEMBL9398370 | 0.84 | THRB (0.42) | THRBTHRASMN1; SMN2NPC1RARB | |
| SCHEMBL9398290 | 0.84 | THRB (0.42) | THRBTHRASMN1; SMN2NPC1RARB |
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-5279764-A | Dihalogenobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5230827-A | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-27 | — | — | US | disclosed |
| EP-0358741-B1 | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |