Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL24137796 | 0.88 | LTA4H (0.42) | AKT1FYNEGFRPIK3CAHDAC1 | |
| SCHEMBL24137469 | 0.86 | CYP11B2 (0.47) | KCNH2AKT1FYNEGFRPIK3CA | |
| SCHEMBL24137913 | 0.84 | SCN2A (0.40) | AKT1FYNKDRHDAC1HDAC3 | |
| SCHEMBL24137734 | 0.84 | CYP1A2 (0.40) | KCNH2AKT1FYNEGFRALDH1A1 | |
| SCHEMBL24137798 | 0.83 | XDH (0.50) | FYNLMNACYP1A2CYP3A4MAPK1 | |
| SCHEMBL24137494 | 0.80 | CYP11B2 (0.46) | KCNH2AKT1FYNEGFRPIK3CA | |
| SCHEMBL24137537 | 0.79 | DHFR (0.41) | KCNH2FYNDHFRLMNACYP1A2 | |
| SCHEMBL24137794 | 0.78 | CYP11B2 (0.46) | KCNH2AKT1FYNEGFRPIK3CA | |
| SCHEMBL13743125 | 0.77 | KCNH2 (0.56) | KCNH2FYNEGFRPIK3CACYP11B2 | |
| SCHEMBL24137549 | 0.77 | FYN (0.61) | KCNH2AKT1FYNEGFRPIK3CA |
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 |