Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 2/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | BRD3 | Q15059 | 6/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22135857 | 1.00 | CYP2D6 (0.58) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL22135858 | 1.00 | CYP2D6 (0.58) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL22135733 | 0.88 | CYP2D6 (0.70) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL4191954 | 0.88 | CYP2D6 (0.70) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL30455081 | 0.88 | CYP2D6 (0.70) | CYP2D6KCNH2DHODHCDC42GAA | |
| Hydrochloric Acid SCHEMBL4160295 | 0.87 | CYP2D6 (0.69) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL25247842 | 0.86 | RB1 (0.55) | CDC42BRD3PKMKDM4EALDH1A1 | |
| SCHEMBL4201376 | 0.85 | CYP2D6 (0.65) | CYP2D6KCNH2DHODHCDC42GAA | |
| Hydrochloric Acid SCHEMBL4165595 | 0.84 | CYP2D6 (0.64) | CYP2D6KCNH2DHODHCDC42GAA | |
| SCHEMBL22135775 | 0.84 | CYP2D6 (0.58) | CYP2D6KCNH2DHODHCDC42GAA |
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-2023121238-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME | (주)메디픽 | 2023-06-29 | — | — | WO | disclosed |