Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.44 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845841 | 0.86 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HPGDCA12CA1 | |
| SCHEMBL14594642 | 0.86 | ALDH1A1 (0.59) | ALDH1A1HPGDPTPN5CA12CA1 | |
| SCHEMBL10415831 | 0.84 | PGR (0.55) | ALDH1A1SMN1; SMN2HPGDMCL1LMNA | |
| SCHEMBL14798995 | 0.83 | CA12 (0.57) | ALDH1A1SMN1; SMN2HPGDCA12CA1 | |
| SCHEMBL9115579 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HPGDPTPN5CA12 | |
| SCHEMBL1120898 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDPOLBMEN1 | |
| SCHEMBL9209192 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDPOLBMEN1 | |
| SCHEMBL12904426 | 0.78 | P2RX1 (0.43) | ALDH1A1SMN1; SMN2HPGDCA12CA1 | |
| SCHEMBL11360774 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDCA12CA1 | |
| SCHEMBL8277193 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDMEN1KMT2A |
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 10 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 | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| WO-1996007411-A1 | NOVEL ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1996-03-14 | — | — | WO | disclosed |
| WO-1995023146-A1 | MORPHOLOGICAL FORMS OF (+)-N-[1'-(6-CYANO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-3,4-DIHYDRO-4-HYDROXYSPIRO[2H-1-BENZOPYRAN-2,4'-PIPERIDIN]YL]METHANESULFONAMIDE HYDROCHLORIDE | MERCK & CO., INC. (US) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |
| US-5382587-A | Spirocycles | MERCK & CO., INC. (US) | 1995-01-17 | — | — | US | disclosed |
| WO-1995001335-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-01-12 | — | — | WO | 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 |