Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24137537 | 0.88 | DHFR (0.41) | FYNCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24137834 | 0.88 | KCNH2 (0.44) | LTA4HHDAC1HDAC3FYNCYP1A2 | |
| SCHEMBL24137798 | 0.80 | XDH (0.50) | FYNCYP1A2CYP3A4 | |
| SCHEMBL24137914 | 0.80 | LTA4H (0.44) | LTA4HHDAC1HDAC3FYNCYP1A2 | |
| SCHEMBL24137734 | 0.77 | CYP1A2 (0.40) | FYNCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24137913 | 0.77 | SCN2A (0.40) | HDAC1HDAC3FYNAKT1 | |
| SCHEMBL24137469 | 0.74 | CYP11B2 (0.47) | FYNAKT1EGFRPIK3CABACE1 | |
| SCHEMBL24137915 | 0.74 | JAK2 (0.57) | AKT1 | |
| SCHEMBL20180337 | 0.71 | HSD17B10 (0.47) | HDAC1HDAC3CYP3A4PIK3CABACE1 | |
| SCHEMBL22191140 | 0.71 | PDE3B (0.47) | LTA4HAKT1PRMT5WDR77 |
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 |