Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24137834 | 0.86 | KCNH2 (0.44) | CYP11B2KCNH2DHFRKDREGFR | |
| SCHEMBL13743125 | 0.77 | KCNH2 (0.56) | CYP11B2KCNH2KDREGFRPIK3CA | |
| SCHEMBL24137549 | 0.75 | FYN (0.61) | CYP11B2KCNH2DHFRKDREGFR | |
| SCHEMBL24137796 | 0.74 | LTA4H (0.42) | EGFRPIK3CAAKT1FYNBACE1 | |
| SCHEMBL4932096 | 0.74 | KCNH2 (0.53) | CYP11B2KCNH2KDRAKT1FYN | |
| SCHEMBL24137788 | 0.72 | KCNH2 (0.52) | CYP11B2KCNH2DHFRKDREGFR | |
| SCHEMBL30596229 | 0.72 | KCNH2 (0.52) | CYP11B2KCNH2DHFRKDREGFR | |
| SCHEMBL24137467 | 0.72 | KCNH2 (0.49) | CYP11B2KCNH2DHFRKDRPIK3CA | |
| SCHEMBL24137475 | 0.72 | KCNH2 (0.46) | CYP11B2KCNH2DHFRKDREGFR | |
| SCHEMBL28563905 | 0.71 | KCNH2 (0.51) | CYP11B2KCNH2KDREGFRPIK3CA |
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-2021263129-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-12-30 | — | — | WO | disclosed |