Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4004125 | 0.98 | CA12 (0.46) | CA12CA1CA2CA9CA3 | |
| SCHEMBL4327138 | 0.80 | HTR6 (0.50) | CA12CA1CA2CA9CA3 | |
| SCHEMBL778854 | 0.80 | HTR6 (0.50) | CA12CA1CA2CA9CA3 | |
| SCHEMBL3681331 | 0.79 | CA1 (0.54) | CA12CA1CA2CA9CA3 | |
| SCHEMBL4838318 | 0.78 | GAA (0.41) | CA12CA1CA2CA9CA4 | |
| SCHEMBL3328703 | 0.78 | HTR6 (0.48) | CA12CA1CA2CA9CA3 | |
| SCHEMBL21515839 | 0.77 | CA1 (0.52) | CA12CA1CA2CA9CA3 | |
| SCHEMBL2446838 | 0.77 | PSIP1 (0.52) | HTR6PSIP1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL25001334 | 0.76 | HTR6 (0.46) | CA12CA1CA2CA9CA3 | |
| SCHEMBL3328706 | 0.76 | TSHR (0.48) | CA12CA1CA2CA9CA3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107722043-B | Preparation method of chiral amino compound and intermediate thereof | 上海彩迩文生化科技有限公司 | 2021-03-05 | — | — | CN | disclosed |
| EP-1896014-A2 | CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-03-12 | — | — | EP | disclosed |
| US-20070087295-A1 | RADIOGRAPHIC MATERIALS WITH ANTIFOGGANT PRECURSORS | EASTMAN KODAK COMPANY | 2007-04-19 | — | — | US | disclosed |
| WO-2007005534-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-01-11 | — | — | WO | disclosed |
| EP-1727526-A2 | PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS | Schering Aktiengesellschaft (DE) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005079769-A2 | PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-09-01 | — | — | WO | disclosed |
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |