Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13775364 | 0.94 | KMT2A (0.41) | KMT2APOLBGSK3BPRKCATSHR | |
| SCHEMBL11261215 | 0.86 | ALDH1A1 (0.41) | KMT2APOLBTSHRALDH1A1LMNA | |
| SCHEMBL10795091 | 0.85 | KMT2A (0.42) | KMT2APOLBTSHRALDH1A1LMNA | |
| SCHEMBL12495091 | 0.84 | MMP1 (0.52) | TSHRMMP1MMP3MAPTTDP1 | |
| SCHEMBL12525648 | 0.84 | MMP1 (0.52) | TSHRMMP1MMP3MAPTTDP1 | |
| SCHEMBL10913716 | 0.82 | PLA2G10 (0.43) | KMT2AALDH1A1MMP1MMP3MAPT | |
| SCHEMBL10895110 | 0.82 | PLA2G10 (0.43) | KMT2AALDH1A1MMP1MMP3MAPT | |
| SCHEMBL10914780 | 0.82 | PLA2G10 (0.43) | KMT2AALDH1A1MMP1MMP3MAPT | |
| SCHEMBL10913722 | 0.82 | PLA2G10 (0.43) | KMT2AALDH1A1MMP1MMP3MAPT | |
| SCHEMBL10691419 | 0.81 | PLA2G10 (0.43) | MMP1MMP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4587238-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0046292-B1 | SUBSTITUTED CAPRYLOLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THEM | MERCK & CO. INC. (US) | 1983-11-16 | — | — | EP | disclosed |
| EP-0046292-A1 | Substituted caprylolactam derivatives as antihypertensives, process for preparing and pharmaceutical composition comprising them | MERCK & CO. INC. (US) | 1982-02-24 | — | — | EP | disclosed |