Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 15/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21443150 | 0.82 | ALK (0.35) | ALKHTR6 | |
| SCHEMBL20004151 | 0.81 | ALK (0.51) | ALKCA1CA2CA4CA6 | |
| SCHEMBL17448483 | 0.81 | ALK (0.43) | ALK | |
| SCHEMBL897744 | 0.80 | ALK (0.50) | ALKCA1CA2CA4CA6 | |
| SCHEMBL897370 | 0.79 | ALK (0.75) | ALK | |
| SCHEMBL16775676 | 0.79 | ALK (0.47) | ALKCA1CA2CA4CA6 | |
| SCHEMBL27087539 | 0.78 | ALK (0.48) | ALKCA1CA2CA4CA6 | |
| SCHEMBL7806147 | 0.78 | ALK (0.63) | ALKCYP1A2CYP3A4HTR1ACYP2D6 | |
| SCHEMBL20366555 | 0.77 | ALK (0.31) | ALK | |
| SCHEMBL27087566 | 0.77 | ALK (0.47) | ALKCA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2975024-B1 | TETRACYCLIC COMPOUNDS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2018-03-28 | — | — | EP | disclosed |