Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IAPP | P10997 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11245383 | 1.00 | IAPP (0.39) | IAPPCES2CES1TRPA1HDAC3 | |
| SCHEMBL13461065 | 0.86 | TRPA1 (0.48) | IAPPCES2CES1TRPA1POLB | |
| SCHEMBL11499898 | 0.85 | TRPA1 (0.57) | CES2CES1TRPA1POLBPOLA1 | |
| SCHEMBL11499897 | 0.85 | TRPA1 (0.57) | CES2CES1TRPA1POLBPOLA1 | |
| SCHEMBL26317169 | 0.85 | TRPA1 (0.57) | CES2CES1TRPA1POLBPOLA1 | |
| SCHEMBL9512845 | 0.82 | IAPP (0.37) | IAPPCES2CES1TRPA1HDAC3 | |
| SCHEMBL12313034 | 0.80 | TDP1 (0.36) | IAPPTRPA1TSHRGABRPGABRD | |
| SCHEMBL4483305 | 0.80 | — | — | |
| SCHEMBL4483304 | 0.80 | — | — | |
| SCHEMBL6064877 | 0.79 | CA1 (0.44) | TRPA1GABRPGABRDGABRA1GABRB1 |
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-101835771-A | Aminobenzyl-substituted cyclic sulfones useful as bace inhibitors | NOVARTIS AG | 2010-09-15 | — | — | CN | disclosed |
| CN-101490018-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-07-22 | — | — | CN | disclosed |
| US-4315032-A | ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS | TEITIN LIMITED (JP) | 1982-02-09 | — | — | US | disclosed |
| EP-0019475-A2 | Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them | TEIJIN LIMITED (JP) | 1980-11-26 | — | — | EP | disclosed |
| US-4139717-A | 1,3-Dicarbonyl compounds | TEIJIN LIMITED (JP) | 1979-02-13 | — | — | US | disclosed |
| US-4009196-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS | TEIJIN LIMITED (JA) | 1977-02-22 | — | — | US | disclosed |