Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30820428 | 0.78 | ALDH1A1 (0.37) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4374725 | 0.78 | PRSS1 (0.36) | ALDH1A1SMN1; SMN2NPC1RAB9ACHEK1 | |
| SCHEMBL1734718 | 0.77 | KDM4E (0.53) | CYP2D6KDM4EALDH1A1CHEK1KMT2A | |
| SCHEMBL28431957 | 0.77 | KDM4E (0.53) | CYP2D6KDM4EALDH1A1CHEK1KMT2A | |
| Hydrochloric Acid SCHEMBL4378498 | 0.76 | KDM4E (0.52) | CYP2D6KDM4EALDH1A1CHEK1KMT2A | |
| SCHEMBL17609969 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL25286424 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL24167710 | 0.74 | ALDH1A1 (0.47) | KDM4EALDH1A1KMT2AMEN1GAA | |
| SCHEMBL28517201 | 0.74 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL26006886 | 0.72 | KDM4E (0.51) | KDM4EALDH1A1KMT2AMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023128350-A1 | HETEROARYL DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | 주식회사 비투에스바이오 | 2023-07-06 | — | — | WO | disclosed |