Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MMP9 | P14780 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 15/20 | 0.37 |
| ▸ | CA2 | P00918 | 15/20 | 0.37 |
| ▸ | CA9 | Q16790 | 14/20 | 0.37 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA7 | P43166 | 5/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.37 |
| ▸ | CA3 | P07451 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA6 | P23280 | 4/20 | 0.37 |
| ▸ | CA5A | P35218 | 4/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6193682 | 0.98 | ALDH1A1 (0.62) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL19069706 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL3369383 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL1335477 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL8592211 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL4952202 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL4954793 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL4298840 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL1931795 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA | |
| SCHEMBL4300371 | 0.80 | TSHR (0.94) | ALDH1A1TSHRKDM4EUSP2LMNA |
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 4 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 |