Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | F7 | P08709 | 3/20 | 0.47 |
| ▸ | F3 | P13726 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027173 | 1.00 | CA2 (0.59) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| Hydrochloric Acid SCHEMBL28412481 | 0.98 | CA2 (0.57) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL28388465 | 0.95 | ALDH1A1 (0.56) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL4585139 | 0.94 | CA2 (0.57) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL4585143 | 0.94 | CA2 (0.57) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL28945181 | 0.93 | CA2 (0.55) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL19856371 | 0.93 | CA2 (0.55) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL3216717 | 0.90 | ALDH1A1 (0.56) | CA2MAPK1ALDH1A1CYP19A1F7 | |
| SCHEMBL15636724 | 0.89 | CA2 (0.64) | CA2MAPK1F7F3MAPT | |
| SCHEMBL15636725 | 0.89 | CA2 (0.64) | CA2MAPK1F7F3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115448923-A | Pyrimido-cyclic compounds, process for their preparation and their use | 青煜医药研发(上海)有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-110156786-B | Pyrimido-cyclic compounds, process for their preparation and their use | 青煜医药研发(上海)有限公司 | 2022-06-03 | — | — | CN | disclosed |
| EP-2877471-A1 | SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2015-06-03 | — | — | EP | disclosed |
| WO-2014018764-A1 | SPIRO - FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2014-01-30 | — | — | WO | disclosed |
| EP-1910364-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011833-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |