Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16397911 | 1.00 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL1582780 | 1.00 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL10843187 | 0.79 | CHRNA7 (0.52) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL27982323 | 0.79 | CHRNA7 (0.52) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL19593180 | 0.78 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL3263036 | 0.77 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL15202935 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 | |
| SCHEMBL7980743 | 0.77 | MAOB (0.61) | ALDH1A1 | |
| SCHEMBL7980741 | 0.77 | MAOB (0.61) | ALDH1A1 | |
| SCHEMBL6158142 | 0.76 | CYP1A2 (0.48) | CHRNB2CHRNA4CHRNA7CYP1A2CYP2D6 |
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-111440147-B | Synthesis method of N- (2-methyl-5-aminophenyl) -4- (3-pyridyl) -2-pyrimidinamine | 苏州卫生职业技术学院 | 2023-03-07 | — | — | CN | disclosed |