Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL776935 | 0.81 | TSHR (0.52) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL10692407 | 0.78 | TSHR (0.44) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL7701590 | 0.77 | TSHR (0.48) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL20656346 | 0.77 | IDO1 (0.50) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL3704561 | 0.77 | TSHR (0.48) | TSHRALDH1A1EPHX2IDO1AGXT | |
| Ammonia Solution, Strong SCHEMBL8697956 | 0.76 | TSHR (0.46) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL28324315 | 0.76 | TSHR (0.46) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL9556453 | 0.76 | TSHR (0.46) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL4344980 | 0.74 | TSHR (0.44) | TSHRALDH1A1EPHX2IDO1AGXT | |
| SCHEMBL28539572 | 0.72 | TSHR (0.43) | TSHRALDH1A1EPHX2IDO1AGXT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102321152-B | Cis-nitenpyram analogue containing glycylglycine, its preparation method and its application | UNIV SHANGHAI | 2014-04-09 | — | — | CN | disclosed |
| CN-102321152-A | Cis-nitenpyram analogue containing glycylglycine, its preparation method and its application | UNIV SHANGHAI | 2012-01-18 | — | — | CN | disclosed |
| US-4767851-A | Process for the preparation of 7-amino and 7-substituted amino-desacetoxycephalosporins | GEMA, S.A. (ES) | 1988-08-30 | — | — | US | disclosed |
| US-4587238-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0169144-A2 | Process for the preparation of 7-amino and 7-substituted amino-desacetoxycephalosporins from the corresponding 6-substituted amino penicillin sulphoxides | GEMA S.A. (ES) | 1986-01-22 | — | — | EP | 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 |