Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 11/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 11/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.34 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | 0.83 | KCNH2 (0.44) | LMNACYP1A2CYP3A4MAPK1HIF1A | |
| SCHEMBL24137796 | 0.80 | LTA4H (0.42) | CYP1A2CYP3A4FYN | |
| SCHEMBL24137848 | 0.78 | XDH (0.55) | XDHSLC22A12PDPK1PIK3CG | |
| SCHEMBL24137913 | 0.77 | SCN2A (0.40) | FYNMEN1MAPTGFERKMT2A | |
| SCHEMBL24137734 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP3A4FYNKDM4EMEN1 | |
| SCHEMBL4192415 | 0.75 | XDH (0.59) | XDHSLC22A12MAPK1CHRNB4CHRNA3 | |
| SCHEMBL20180337 | 0.75 | HSD17B10 (0.47) | LMNACYP3A4KDM4EMEN1GAA | |
| SCHEMBL2841435 | 0.75 | MEN1 (0.56) | XDHSLC22A12PDPK1LMNACYP1A2 | |
| SCHEMBL30065768 | 0.73 | XDH (0.48) | XDHSLC22A12PDPK1PIK3CBLMNA | |
| SCHEMBL14404118 | 0.73 | MKNK1 (0.53) | CYP1A2CYP3A4FYNMEN1 |
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 |