Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5097249 | 0.78 | CA2 (0.48) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL12854179 | 0.77 | CA1 (0.38) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL2377189 | 0.66 | CA1 (0.37) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL276299 | 0.63 | — | — | |
| SCHEMBL12039027 | 0.61 | CA1 (0.66) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL14686400 | 0.61 | CA1 (0.37) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL2006039 | 0.60 | — | — | |
| SCHEMBL2585572 | 0.60 | CA1 (0.63) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL7770205 | 0.59 | — | — | |
| SCHEMBL502516 | 0.58 | ABCC9 (0.44) | FBP1TSHRMEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456283-B | 2- (trifluoromethyl) benzamide derivative containing 1,3,4-thiadiazole thioether (sulfone), and preparation and application thereof | 贵州大学 | 2023-03-28 | — | — | CN | claimed |
| EP-3048155-A1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS | cynora GmbH (DE) | 2016-07-27 | — | — | EP | disclosed |
| EP-3048156-A1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS | cynora GmbH (DE) | 2016-07-27 | — | — | EP | disclosed |
| US-6153628-A | 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| EP-1049693-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999026945-A1 | 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-06-03 | — | — | WO | disclosed |