Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10691179 | 0.81 | GPR35 (0.39) | CYP2A6CYP1A2ALDH1A1GRM5 | |
| SCHEMBL30350331 | 0.78 | CYP2A6 (0.39) | CYP2A6ARALDH1A1KDM4EGAA | |
| SCHEMBL29153598 | 0.78 | CYP2A6 (0.39) | CYP2A6ARALDH1A1KDM4EGAA | |
| SCHEMBL31358012 | 0.78 | TSHR (0.45) | TSHRCYP2A6CYP1A2ARALDH1A1 | |
| SCHEMBL29915143 | 0.78 | DYRK1A (0.46) | CYP2A6ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL27002564 | 0.78 | DYRK1A (0.46) | CYP2A6ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL8404365 | 0.76 | CYP1A2 (0.48) | TSHRCYP2A6CYP1A2ALDH1A1GAA | |
| SCHEMBL10692886 | 0.75 | PTGS1 (0.38) | CYP2A6CYP1A2KDM4E | |
| SCHEMBL10693094 | 0.75 | IFNAR1 (0.44) | TSHRCYP2A6ALDH1A1KDM4EGAA | |
| SCHEMBL10692882 | 0.75 | PTGS1 (0.38) | CYP2A6CYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-117500799-A | Substituted fused azines as KRAS G12D inhibitors | 伊莱利利公司 | 2024-02-02 | — | — | CN | disclosed |
| US-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |