Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL498052 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPK1MKNK2 | |
| SCHEMBL14577106 | 0.82 | GABRA1 (0.50) | ALDH1A1CYP3A4MAPK1GABRA1GABRG2 | |
| SCHEMBL4513511 | 0.82 | NPC1 (0.48) | ALDH1A1CYP3A4MAPK1ACACB | |
| SCHEMBL936599 | 0.82 | ACACB (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9545806 | 0.81 | CA12 (0.44) | ALDH1A1GRM5 | |
| SCHEMBL9477603 | 0.81 | ACACB (0.47) | ALDH1A1GRM5ACACB | |
| SCHEMBL29411036 | 0.81 | CA12 (0.44) | ALDH1A1GRM5 | |
| SCHEMBL27949160 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPK1GABRA1GABRG2 | |
| SCHEMBL12478968 | 0.80 | GRM5 (0.55) | CYP3A4GRM5 | |
| SCHEMBL4161682 | 0.77 | HDAC8 (0.51) | GRM5MKNK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107383024-B | The class compound of fused tricyclic containing imidazoles and its application | 广州必贝特医药技术有限公司 | 2018-06-08 | — | — | CN | disclosed |