Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7871733 | 0.92 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL14720795 | 0.81 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL5804037 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 | |
| SCHEMBL4440336 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL8119312 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL8154375 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 | |
| SCHEMBL23088434 | 0.76 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL29792811 | 0.76 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL9823917 | 0.76 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL8103702 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19MAPTL3MBTL1 |
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 6 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 |
| EP-0912579-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-06 | — | — | EP | disclosed |
| EP-0880528-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998001450-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-01-15 | — | — | WO | disclosed |
| WO-1997030055-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |