Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.57 |
| ▸ | CA1 | P00915 | 9/20 | 0.57 |
| ▸ | CA12 | O43570 | 8/20 | 0.57 |
| ▸ | CA9 | Q16790 | 7/20 | 0.57 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9555262 | 0.75 | CA1 (0.49) | CA2CA1CA12CA9KIF11 | |
| SCHEMBL6401783 | 0.74 | CA2 (1.00) | CA2CA1CA12CA9MAPK8 | |
| SCHEMBL29899154 | 0.72 | CA2 (0.63) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL1765247 | 0.72 | CA2 (0.63) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL197213 | 0.70 | ALDH1A1 (0.46) | CA2CA1CA12CA9KIF11 | |
| SCHEMBL8594103 | 0.68 | CA2 (0.57) | CA2CA1CA12CA9CA14 | |
| SCHEMBL2896327 | 0.68 | ALDH1A1 (0.45) | CA2CA1CA12CA9KIF11 | |
| SCHEMBL1098358 | 0.68 | ALDH1A1 (0.49) | CA2CA1CA12CA9ALDH1A1 | |
| SCHEMBL314338 | 0.68 | KIF11 (0.46) | CA2CA1CA12CA9KIF11 | |
| SCHEMBL6608198 | 0.68 | KEAP1 (0.53) | CA2CA1CA12CA9KIF11 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | claimed |
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |