Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13338407 | 1.00 | CYP2A6 (0.44) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338707 | 0.91 | LMNA (0.40) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338384 | 0.90 | CYP2A6 (0.50) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338522 | 0.89 | CYP2A6 (0.45) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338565 | 0.86 | CYP3A4 (0.40) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338828 | 0.86 | EGFR (0.47) | CYP2A6S100A4RAB9A | |
| SCHEMBL13338757 | 0.86 | CYP2A6 (0.41) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338449 | 0.85 | KDM4E (0.41) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338587 | 0.85 | CYP2A6 (0.44) | CYP2A6LMNAPLAUF12NCF1 | |
| SCHEMBL13338488 | 0.83 | CYP2A6 (0.43) | CYP2A6LMNAPLAUF12NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112390755-B | Heteroaryl method for amine | 中国科学院理化技术研究所 | 2024-08-02 | — | — | CN | claimed |