Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.43 |
| ▸ | CTSS | P25774 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31362911 | 1.00 | CTSK (0.43) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL12908829 | 0.92 | CYP2D6 (0.45) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL28175055 | 0.91 | CTSK (0.45) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL9606612 | 0.91 | CTSK (0.45) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL20064066 | 0.89 | CTSK (0.44) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL28975111 | 0.88 | CYP1A2 (0.50) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL28975110 | 0.88 | CYP1A2 (0.50) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL6917401 | 0.87 | CA2 (0.41) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL385450 | 0.87 | CA2 (0.41) | CTSKCTSSCA2CA1CA7 | |
| SCHEMBL2323213 | 0.87 | CA2 (0.41) | CTSKCTSSCA2CA1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4289839-A1 | NOVEL AURORA KINASE INHIBITOR AND USE THEREOF | Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| WO-2021110009-A1 | NOVEL AURORA KINASE INHIBITOR AND USE THEREOF | 微境生物医药科技(上海)有限公司 | 2021-06-10 | — | — | WO | disclosed |