Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RB1 | P06400 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.48 |
| ▸ | CDC42 | P60953 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191431 | 0.88 | RB1 (0.62) | RB1BRD3CDC42SIRT2SIRT1 | |
| SCHEMBL22135853 | 0.88 | RB1 (0.62) | RB1BRD3CDC42SIRT2SIRT1 | |
| Hydrochloric Acid SCHEMBL4162946 | 0.87 | RB1 (0.63) | RB1BRD3CDC42SIRT2SIRT1 | |
| Hydrochloric Acid SCHEMBL15265307 | 0.87 | RB1 (0.63) | RB1BRD3CDC42SIRT2SIRT1 | |
| SCHEMBL30455919 | 0.86 | CYP2D6 (0.58) | KDM4EALDH1A1PKMBRD3CDC42 | |
| SCHEMBL22135858 | 0.86 | CYP2D6 (0.58) | KDM4EALDH1A1PKMBRD3CDC42 | |
| SCHEMBL22135857 | 0.86 | CYP2D6 (0.58) | KDM4EALDH1A1PKMBRD3CDC42 | |
| SCHEMBL5448977 | 0.83 | CDC42 (0.48) | KDM4EALDH1A1CDC42SIRT2 | |
| SCHEMBL31497425 | 0.81 | RB1 (0.57) | RB1BRD3CDC42SIRT2SIRT1 | |
| SCHEMBL25289891 | 0.81 | RB1 (0.58) | RB1BRD3CDC42SIRT2SIRT1 |
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 |