Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 7/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303786 | 0.86 | ACHE (0.54) | ACHEGAAALDH1A1CYP3A4AR | |
| SCHEMBL12248268 | 0.86 | SLC6A4 (0.46) | ACHEGAAL3MBTL1SLC6A4HTR2A | |
| SCHEMBL25620294 | 0.86 | CA12 (0.50) | ACHEALDH1A1CYP3A4ARL3MBTL1 | |
| SCHEMBL28452075 | 0.86 | SLC6A4 (0.45) | ACHEGAAALDH1A1ARL3MBTL1 | |
| SCHEMBL144308 | 0.85 | ACHE (0.68) | ACHEGAAALDH1A1CYP3A4L3MBTL1 | |
| SCHEMBL29352952 | 0.85 | ACHE (0.68) | ACHEGAAALDH1A1CYP3A4L3MBTL1 | |
| SCHEMBL446449 | 0.84 | AR (0.47) | ACHEGAAALDH1A1ARL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL6473680 | 0.83 | ACHE (0.65) | ACHEGAAALDH1A1CYP3A4L3MBTL1 | |
| SCHEMBL13011575 | 0.82 | TEAD4 (0.50) | ACHEALDH1A1ARL3MBTL1SLC6A4 | |
| SCHEMBL11767346 | 0.81 | CA12 (0.59) | ACHEGAAALDH1A1CYP3A4AR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |