Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5786719 | 0.81 | PTGS1 (0.45) | ALDH1A1KMT2AHTTHPGD | |
| SCHEMBL10708969 | 0.81 | CASP1 (0.57) | CASP1ALDH1A1NLRP3RORCTSHR | |
| SCHEMBL16795960 | 0.79 | CASP1 (0.46) | CASP1ALDH1A1NLRP3RORCL3MBTL1 | |
| SCHEMBL15540183 | 0.79 | CASP1 (0.46) | CASP1ALDH1A1NLRP3RORCL3MBTL1 | |
| SCHEMBL15540561 | 0.79 | CASP1 (0.46) | CASP1ALDH1A1NLRP3RORCL3MBTL1 | |
| SCHEMBL11436019 | 0.79 | ALDH1A1 (0.45) | CASP1ALDH1A1NLRP3RORCL3MBTL1 | |
| SCHEMBL7293347 | 0.78 | CASP1 (0.45) | CASP1ALDH1A1NLRP3RORCTSHR | |
| SCHEMBL12305587 | 0.77 | TSHR (0.56) | ALDH1A1L3MBTL1TSHRCA12CA1 | |
| SCHEMBL2836423 | 0.77 | KMT2A (0.50) | CASP1ALDH1A1NLRP3L3MBTL1TSHR | |
| SCHEMBL10013411 | 0.76 | LMNA (0.48) | CASP1ALDH1A1NLRP3RORCL3MBTL1 |
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-5973156-A | Piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOME LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |