Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.49 |
| ▸ | CTSS | P25774 | 6/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6361613 | 0.93 | CA1 (0.55) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL12666832 | 0.93 | CA1 (0.55) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL9281071 | 0.93 | CA1 (0.55) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL31087935 | 0.82 | CA1 (0.49) | CTSKCTSSCA1CA2CA7 | |
| Potassium Ion SCHEMBL30980431 | 0.81 | CA1 (0.47) | CTSKCTSSCA1CA2CA7 | |
| Potassium Ion SCHEMBL26660003 | 0.81 | CA1 (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL16638807 | 0.81 | CA1 (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL13088682 | 0.79 | CA1 (0.53) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL28706941 | 0.78 | CA1 (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL17980908 | 0.78 | CTSK (0.53) | CTSKCTSSCA1CA2CA7 |
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-111253402-B | Intermediate compound of TRK kinase inhibitor compound and preparation method thereof | 广州白云山医药集团股份有限公司白云山制药总厂 | 2021-08-03 | — | — | CN | disclosed |
| CN-111253402-A | Intermediate compound of TRK kinase inhibitor compound and preparation method thereof | 成都先导药物开发股份有限公司 | 2020-06-09 | — | — | CN | disclosed |