Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 7/20 | 0.50 |
| ▸ | CA9 | Q16790 | 7/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | ADH5 | P11766 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL217623 | 0.83 | AOC2 (0.60) | KMT2ADDAH1CA12CA9CA1 | |
| SCHEMBL334849 | 0.82 | KMT2A (1.00) | KMT2ATSHRALDH1A1MEN1MAPT | |
| SCHEMBL1377974 | 0.82 | KMT2A (0.67) | KMT2ADDAH1CA1TSHRCA2 | |
| SCHEMBL7348821 | 0.82 | KMT2A (0.67) | KMT2ADDAH1ADH5ALDH1A1MEN1 | |
| SCHEMBL9595456 | 0.77 | KMT2A (0.66) | KMT2ATSHRKDM4EALDH1A1MEN1 | |
| SCHEMBL20649339 | 0.76 | KMT2A (0.59) | KMT2ACA12CA9CA1CA2 | |
| SCHEMBL7319404 | 0.75 | KMT2A (0.52) | KMT2AKDM4EALDH1A1MEN1POLB | |
| SCHEMBL10195813 | 0.75 | ADH5 (0.63) | DDAH1ADH5TP53TSHR | |
| SCHEMBL29171463 | 0.75 | DDAH1 (0.47) | KMT2ADDAH1CA12CA9CA1 | |
| SCHEMBL1664108 | 0.72 | QPCT (0.58) | KMT2ADDAH1CA12CA9CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5783114-A | PYRIMIDINE OR PYRIDAZINES MIXED WITH OTHER LIQUID CRYSTALLINE MATERIALS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1998-07-21 | — | — | US | disclosed |
| US-5246928-A | Cardiovascular disorders | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-09-21 | — | — | US | disclosed |
| US-5066653-A | Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-19 | — | — | US | disclosed |
| CN-1009092-B | The preparation method of Pyridione derivatives | SMITH KLINE FRENCH LAB (GB) | 1990-08-08 | — | — | CN | disclosed |
| US-4906628-A | N-phenylpyridone type III phosphodiesterases | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-03-06 | — | — | US | disclosed |
| CN-86106546-A | The preparation method of Pyridione derivatives | — | 1987-05-20 | — | — | CN | disclosed |
| EP-0220044-A2 | 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-04-29 | — | — | EP | disclosed |