Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL13779828 | 0.88 | CYP2D6 (0.33) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL1447140 | 0.81 | HDAC6 (0.36) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL24904226 | 0.81 | CA14 (0.32) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL15597130 | 0.81 | CYP2D6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL23817201 | 0.81 | CA14 (0.32) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL17508161 | 0.81 | CYP2D6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL15597145 | 0.81 | CYP2D6 (0.33) | HDAC6HDAC1HDAC2CA1CA2 | |
| SCHEMBL13041259 | 0.80 | CA14 (0.33) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL18175892 | 0.80 | CA14 (0.33) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL23134818 | 0.79 | MAPK1 (0.35) | CA14HDAC6HDAC1HDAC2CACNA1G |
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-3317285-B1 | CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | TURNING POINT THERAPEUTICS INC (US) | 2021-01-27 | — | — | EP | disclosed |