Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | GHSR | Q92847 | 4/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL24137796 | 0.88 | LTA4H (0.42) | CYP1A2CYP2C9CYP2C19FYNCYP3A4 | |
| SCHEMBL24137791 | 0.81 | GHSR (0.41) | DHFRGHSRSCN2ASCN10ACYP1A2 | |
| SCHEMBL24137834 | 0.79 | KCNH2 (0.44) | DHFRCYP1A2CYP2C19ROCK2FYN | |
| SCHEMBL24137913 | 0.76 | SCN2A (0.40) | SCN2ASCN10ANPC1MEN1RAB9A | |
| SCHEMBL24137792 | 0.75 | JAK2 (0.50) | DHFRROCK2 | |
| SCHEMBL22191810 | 0.72 | THRB (0.53) | MEN1KMT2ALMNAMAPT | |
| SCHEMBL24137538 | 0.71 | FDPS (0.50) | ROCK2 | |
| SCHEMBL24137734 | 0.71 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL24137914 | 0.69 | LTA4H (0.44) | CYP1A2CYP2C9CYP2C19ROCK2XDH | |
| SCHEMBL24137798 | 0.69 | XDH (0.50) | CYP1A2MEN1KMT2AXDHSLC22A12 |
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 |