Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.36 |
| ▸ | LATS1 | O95835 | 4/20 | 0.35 |
| ▸ | LATS2 | Q9NRM7 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2674607 | 0.78 | NPC1 (0.60) | KDM4ENPC1NPSR1RECQLLMNA | |
| SCHEMBL4048955 | 0.78 | METAP2 (0.47) | COMTKDM4ENPC1GRM4LATS1 | |
| SCHEMBL15633796 | 0.78 | NPC1 (0.46) | KDM4ENPC1NPSR1LMNARAB9A | |
| SCHEMBL25293136 | 0.77 | COMT (0.36) | COMTKDM4ELATS1LATS2ROCK1 | |
| SCHEMBL14224799 | 0.77 | KDM4E (0.38) | KDM4ENPC1NPSR1RECQLLMNA | |
| SCHEMBL14224790 | 0.74 | KDM4E (0.37) | KDM4ENPC1NPSR1RECQLLMNA | |
| SCHEMBL31440145 | 0.74 | EPHX2 (0.63) | KDM4EBRD4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL25781276 | 0.73 | RIPK1 (0.50) | COMTCDK1 | |
| Hydrochloric Acid SCHEMBL30669801 | 0.72 | EPHX2 (0.62) | KDM4EBRD4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL279584 | 0.71 | PARP1 (0.44) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 |
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-2023168686-A1 | SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2023-09-14 | — | — | WO | disclosed |
| WO-2023116884-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-06-29 | — | — | WO | disclosed |