Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.33 |
| ▸ | HTR3B | O95264 | 5/20 | 0.33 |
| ▸ | HTR3A | P46098 | 5/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL9457694 | 0.88 | THRB (0.39) | THRBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9192390 | 0.88 | THRB (0.39) | THRBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9457708 | 0.88 | THRB (0.39) | THRBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9457700 | 0.88 | THRB (0.39) | THRBHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9417041 | 0.84 | THRA (0.39) | THRB | |
| SCHEMBL9562030 | 0.83 | CYP2C9 (0.34) | THRBPTGER2 | |
| SCHEMBL9562026 | 0.83 | CYP2C9 (0.34) | THRBPTGER2 | |
| SCHEMBL9561548 | 0.79 | PRSS1 (0.38) | THRBPRSS1PRSS2PRSS3PPARG | |
| SCHEMBL9406422 | 0.79 | NAAA (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9406430 | 0.79 | NAAA (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 |
|---|---|---|---|---|---|---|---|
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |