Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | MGMT | P16455 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29167073 | 0.82 | LOXL2 (0.34) | CYP1A2 | |
| SCHEMBL31617173 | 0.77 | CHRNA7 (0.39) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL29167112 | 0.77 | CHRNA7 (0.39) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL30740019 | 0.73 | FYN (0.38) | — | |
| SCHEMBL4459263 | 0.72 | CHRNA7 (0.40) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL28081935 | 0.64 | MAOA (0.50) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL30385240 | 0.64 | MAOA (0.46) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL22660502 | 0.64 | MAOA (0.46) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL45429 | 0.60 | — | — | |
| Picolamine SCHEMBL17850 | 0.60 | — | — |
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-117624137-A | Triazine skeleton small molecule heparin reversal agent and preparation method and application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |