Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112973 | 0.92 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL14720795 | 0.88 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 | |
| SCHEMBL5804037 | 0.86 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPT | |
| SCHEMBL4440336 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL8119312 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL8154375 | 0.84 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19L3MBTL1MAPT | |
| SCHEMBL23088434 | 0.83 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL29792811 | 0.83 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL9823917 | 0.83 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL8103702 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880528-B1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2001-10-04 | — | — | EP | disclosed |
| US-6127365-A | Spiro-ketal derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-10-03 | — | — | US | disclosed |
| US-6071927-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-06 | — | — | US | disclosed |
| US-6071928-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME, LTD. (GB) | 2000-06-06 | — | — | US | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| EP-0912579-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-06 | — | — | EP | disclosed |
| EP-0906315-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1999-04-07 | — | — | EP | disclosed |
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| EP-0880528-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| WO-1998001450-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-01-15 | — | — | WO | disclosed |
| WO-1997049710-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-12-31 | — | — | WO | disclosed |
| WO-1997030055-A1 | SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-08-21 | — | — | WO | disclosed |