Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GHSR | Q92847 | 6/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | KLK1 | P06870 | 1/20 | 0.35 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL24137914 | 0.89 | LTA4H (0.44) | KLK5XDHSLC22A12MAP4K4KLK1 | |
| SCHEMBL24137537 | 0.81 | DHFR (0.41) | GHSRDHFRXDHSLC22A12SCN10A | |
| SCHEMBL24137494 | 0.80 | CYP11B2 (0.46) | DHFRKLK5XDHSLC22A12MAP4K4 | |
| SCHEMBL24137728 | 0.76 | KLK5 (0.43) | KLK5SCN10ASCN2A | |
| SCHEMBL24137792 | 0.74 | JAK2 (0.50) | DHFRMAP4K4 | |
| SCHEMBL24137851 | 0.72 | KDM4E (0.41) | MAP4K4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22191810 | 0.71 | THRB (0.53) | — | |
| SCHEMBL24137794 | 0.70 | CYP11B2 (0.46) | DHFRKLK5XDHSLC22A12MAP4K4 | |
| SCHEMBL24137538 | 0.70 | FDPS (0.50) | MAP4K4 | |
| SCHEMBL24137848 | 0.69 | XDH (0.55) | XDHSLC22A12 |
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 |