Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 5/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 4/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | HCK | P08631 | 2/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30933400 | 0.87 | ACLY (0.36) | HSP90AA1HSP90AB1ACLYBUB1GRM5 | |
| SCHEMBL31195162 | 0.80 | ACLY (0.40) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL29056335 | 0.79 | GABRA5 (0.41) | GABRA5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL31056662 | 0.77 | ACLY (0.39) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL21625237 | 0.77 | ACLY (0.39) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL31549567 | 0.76 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL30292226 | 0.75 | BUB1 (0.40) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL16409301 | 0.75 | BUB1 (0.40) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA | |
| SCHEMBL21577582 | 0.73 | ESR2 (0.43) | GABRA5GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL30933401 | 0.73 | HSP90AA1 (0.35) | HSP90AA1HSP90AB1ACLYBUB1PIK3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118043314-A | Benzazepine heteroaromatic ring derivative and application thereof in medicine | 西藏海思科制药有限公司 | 2024-05-14 | — | — | CN | disclosed |
| WO-2023020566-A1 | BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE | 四川海思科制药有限公司 | 2023-02-23 | — | — | WO | disclosed |