Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8154375 | 0.90 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL8161671 | 0.89 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL7871733 | 0.83 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL5804037 | 0.81 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL8119312 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL27495410 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL8112973 | 0.76 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL8903304 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL19413858 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R | |
| SCHEMBL14720795 | 0.74 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1019410-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |