Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL24904226 | 1.00 | CA14 (0.32) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL13779828 | 0.83 | CYP2D6 (0.33) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL23134818 | 0.82 | MAPK1 (0.35) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL20215933 | 0.82 | MAPK1 (0.35) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL22916149 | 0.81 | CA14 (0.33) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL21610053 | 0.80 | HDAC6 (0.34) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL21610067 | 0.80 | HDAC6 (0.34) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL7601771 | 0.80 | CA14 (0.36) | CA14HDAC6APLNRHDAC1HDAC2 | |
| SCHEMBL1447140 | 0.80 | HDAC6 (0.36) | CA14HDAC6HDAC1HDAC2CACNA1G | |
| SCHEMBL13490197 | 0.80 | HDAC6 (0.36) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023134266-A1 | 2-PIPERIDYL OR 2-PYRAZOLYL SUBSTITUTED PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR | 苏州浦合医药科技有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2021179274-A1 | ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS | SUZHOU ZANRONG PHARMA LTD. (CN) | 2021-09-16 | — | — | WO | disclosed |