Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31552397 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4EHTTMEN1POLB | |
| SCHEMBL2270694 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4EHTTMEN1POLB | |
| SCHEMBL10937008 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDHTT | |
| SCHEMBL7143573 | 0.83 | CA1 (0.55) | ALDH1A1KDM4EHSD17B10HPGDMEN1 | |
| SCHEMBL29707980 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4EHSD17B10HPGDHTT | |
| SCHEMBL312086 | 0.83 | HSD17B10 (0.68) | ALDH1A1KDM4EHSD17B10HPGDHTT | |
| SCHEMBL1020899 | 0.83 | ALDH1A1 (0.68) | ALDH1A1KDM4EHSD17B10HPGDHTT | |
| SCHEMBL11222667 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDMEN1 | |
| SCHEMBL1577295 | 0.83 | LMNA (0.51) | ALDH1A1KDM4EHSD17B10HPGDHTT | |
| Ammonia Solution, Strong SCHEMBL7644798 | 0.81 | HSD17B10 (0.66) | ALDH1A1KDM4EHSD17B10HPGDHTT |
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 | 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 |
| US-4317887-A | NUCLEOPHILIC-MODIFIED POLYACRYLAMIDE, POLYSTYRENE, AND DIVINYLBENZENE-STYRENE COPOLYMER; ION EXCHANGE RESINS; FIREPROOFING | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1982-03-02 | — | — | US | disclosed |