Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014977 | 0.81 | CA1 (0.41) | HDAC3HSD17B3PARP1CA1CA2 | |
| Hydrochloric Acid SCHEMBL7007188 | 0.79 | CA1 (0.40) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL28632594 | 0.79 | CA1 (0.40) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL22777551 | 0.73 | HDAC3 (0.36) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL3069885 | 0.73 | HDAC3 (0.43) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL143063 | 0.69 | HDAC3 (0.38) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL1564351 | 0.69 | HDAC3 (0.41) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL13932579 | 0.69 | HDAC3 (0.38) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL11353696 | 0.69 | HDAC3 (0.38) | HDAC3HSD17B3PARP1CA1CA2 | |
| SCHEMBL4854749 | 0.69 | HDAC3 (0.41) | HDAC3HSD17B3PARP1CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3750886-A1 | TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2020-12-16 | — | — | EP | claimed |
| JP-2011529031-A | — | — | 2011-12-01 | — | — | JP | claimed |
| EP-2318355-A1 | 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2011-05-11 | — | — | EP | claimed |
| WO-2010010174-A1 | 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-28 | — | — | WO | claimed |
| EP-1027351-B1 | PHENANTHROLINE DERIVATIVES | FIBROGEN INC (US) | 2003-12-03 | — | — | EP | claimed |
| CN-110467629-A | Quinone derivatives, its pharmaceutical composition and application | SHANGHAI DE NOVO PHARMATECH CO LTD | 2019-11-19 | — | — | CN | disclosed |
| EP-1940838-A1 | TRIAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES | sanofi-aventis (FR) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007045392-A1 | TRIAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES | SANOFI-AVENTIS (DE) | 2007-04-26 | — | — | WO | disclosed |
| WO-2006099610-A2 | METHODS OF IDENTIFYING THERAPEUTIC TARGETS FOR THE TREATMENT OF VULVOVAGINAL ATROPHY | WYETH (US) | 2006-09-21 | — | — | WO | disclosed |