Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL10904177 | 0.82 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL10904174 | 0.82 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1PTGES2 | |
| SCHEMBL3163017 | 0.79 | TAAR1 (0.52) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL4262737 | 0.79 | TAAR1 (0.52) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL18389661 | 0.79 | TAAR1 (0.47) | TAAR1AOC3TRPA1RIPK1PTGES2 | |
| SCHEMBL18510285 | 0.78 | TAAR1 (0.39) | TAAR1HTR2AHRH1 | |
| SCHEMBL30657712 | 0.77 | TAAR1 (0.50) | TAAR1AOC3TRPA1RIPK1KDM4E | |
| SCHEMBL136376 | 0.77 | TAAR1 (0.61) | TAAR1AOC3TRPA1RIPK1ALDH1A1 | |
| Benzene SCHEMBL5290987 | 0.77 | TAAR1 (0.61) | TAAR1AOC3TRPA1RIPK1ALDH1A1 | |
| SCHEMBL17453236 | 0.77 | TAAR1 (0.61) | TAAR1AOC3TRPA1RIPK1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0009201-B1 | SELECTIVELY PROTECTED 4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINOCYCLITOLS, METHOD FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATES | BAYER AG (DE) | 1981-12-02 | — | — | EP | disclosed |
| US-4294959-A | Selectively protected 4,6-di-O-(aminoglycosyl)-1,3-diaminocyclitols and their production | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-13 | — | — | US | disclosed |
| EP-0009201-A1 | Selectively protected 4,6-di-O-(aminoglycosyl)-1,3-diaminocyclitols, method for their preparation and their use as intermediates | BAYER AG (DE) | 1980-04-02 | — | — | EP | disclosed |