Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 16/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007878 | 0.87 | NAMPT (0.48) | NAMPTCYP2C9ATR | |
| SCHEMBL30007248 | 0.82 | ATR (0.40) | NAMPTATR | |
| SCHEMBL30008206 | 0.82 | CLK1 (0.43) | NAMPTCYP2C9ATR | |
| Hydrochloric Acid SCHEMBL30007950 | 0.76 | ATR (0.41) | ATR | |
| SCHEMBL30007683 | 0.72 | CYP2C9 (0.48) | NAMPTCYP2C9 | |
| SCHEMBL30007668 | 0.71 | CNR2 (0.37) | CNR1ATR | |
| SCHEMBL30007677 | 0.69 | AXL (0.50) | NAMPT | |
| SCHEMBL30007830 | 0.69 | DYRK1A (0.45) | NAMPTATR | |
| SCHEMBL14575170 | 0.67 | ATR (0.46) | NAMPTCYP2C9ATR | |
| SCHEMBL30008202 | 0.67 | KMT2A (0.47) | — |
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 |