Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562079 | 0.88 | ALDH1A1 (0.41) | PRSS1PRSS2PRSS3PPARGALDH1A1 | |
| SCHEMBL9561846 | 0.87 | THRB (0.36) | PRSS1PRSS2PRSS3PPARGTHRB | |
| SCHEMBL9561850 | 0.87 | THRB (0.36) | PRSS1PRSS2PRSS3PPARGTHRB | |
| SCHEMBL14261941 | 0.83 | SMPD1 (0.47) | THRBALDH1A1MAOAMAOBSMPD1 | |
| SCHEMBL9562081 | 0.83 | THRB (0.43) | PPARGTHRBPPARA | |
| SCHEMBL9561526 | 0.79 | THRB (0.33) | PRSS1PRSS2PRSS3PPARGTHRB | |
| SCHEMBL9123718 | 0.78 | MGLL (0.52) | THRBALDH1A1MGLL | |
| SCHEMBL9562030 | 0.77 | CYP2C9 (0.34) | THRBALDH1A1 | |
| SCHEMBL9562026 | 0.77 | CYP2C9 (0.34) | THRBALDH1A1 | |
| SCHEMBL8375387 | 0.73 | KMT2A (0.53) | PRSS1PRSS2PRSS3ALDH1A1 |
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 5 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 |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |