Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 12/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24603118 | 0.84 | CACNA1S (0.47) | CACNA1SKDM4ETP53MAPK1HTR2A | |
| SCHEMBL24603093 | 0.82 | HRH1 (0.44) | CACNA1SKDM4EHTR2AHTR2CSLC6A4 | |
| SCHEMBL26646898 | 0.81 | BRD4 (0.56) | KDM4EMETAP1 | |
| SCHEMBL8510313 | 0.81 | ATAD2 (0.50) | CACNA1SKDM4EHTR2AHTR2CSLC6A4 | |
| SCHEMBL16064620 | 0.81 | SLC6A4 (0.43) | HTR2ASLC6A4HRH1METAP1 | |
| SCHEMBL13656405 | 0.77 | MTNR1A (0.49) | — | |
| SCHEMBL6704468 | 0.77 | HRH1 (0.61) | CACNA1SKDM4EHTR2AHTR2CSLC6A4 | |
| SCHEMBL14876545 | 0.77 | PTGDR2 (0.49) | — | |
| SCHEMBL578369 | 0.76 | LMNA (0.60) | METAP1 | |
| SCHEMBL30068092 | 0.76 | MEN1 (0.57) | — |
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-2022145989-A1 | PYRIMIDODIAZEPINE DERIVATIVE AS SELECTIVE PLK1 INHIBITOR | (주) 업테라 | 2022-07-07 | — | — | WO | disclosed |
| EP-0418770-A2 | Process for the chemical resolution of 5-alkoxy-substituted (+/-)-1,3-dimethyloxindolylethylamines | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-03-27 | — | — | EP | disclosed |