Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1879176 | 0.78 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL1879175 | 0.78 | HCAR2 (0.52) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL694706 | 0.75 | HCAR2 (0.42) | HCAR2MAPTCA12CA1CA2 | |
| SCHEMBL15996945 | 0.70 | HCAR2 (0.43) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL2015896 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL60423 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL43033 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL2015895 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL42602 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 | |
| Diethyl Maleate SCHEMBL27966383 | 0.69 | HCAR2 (0.80) | HCAR2MAPTCA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110121499-A | (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides | 优时比制药有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-107922386-A | 1,4 disubstituted imidazolium derivatives | 大日本住友制药株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-104093715-B | 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives | 埃科特莱茵药品有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-102405220-B | Thiazole derivatives and their use as p2y12 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-05-27 | — | — | CN | disclosed |