Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | AXL | P30530 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30008206 | 0.91 | CLK1 (0.43) | CYP2C9CYP2C19GSK3BCLK1DYRK1A | |
| SCHEMBL30007677 | 0.77 | AXL (0.50) | POLBNAMPTAXLCAMKK2ADORA2A | |
| Hydrochloric Acid SCHEMBL30007736 | 0.76 | CAMKK2 (0.57) | CYP2C9CYP2C19CLK1DYRK1AAXL | |
| SCHEMBL30007248 | 0.75 | ATR (0.40) | GSK3BCLK1DYRK1ANAMPT | |
| SCHEMBL30007360 | 0.74 | AXL (0.72) | CYP2C9CYP2C19CLK1DYRK1AAXL | |
| SCHEMBL30007739 | 0.72 | NAMPT (0.43) | CYP2C9NAMPT | |
| SCHEMBL13854175 | 0.70 | MAPK8 (0.50) | BRAFAXLCAMKK2CYP3A4 | |
| SCHEMBL30007734 | 0.69 | MAPK8 (0.45) | CLK1DYRK1ABRAFAXLCAMKK2 | |
| SCHEMBL7117672 | 0.69 | CYP2C9 (0.53) | CYP2C9CYP2C19GSK3BCLK1DYRK1A | |
| SCHEMBL15666903 | 0.68 | BRAF (0.85) | CYP2C9CYP2C19BRAFCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | claimed |
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |