Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MPO | P05164 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28086048 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL1826396 | 0.85 | CHRNB2 (0.65) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL30345390 | 0.85 | CHRNB2 (0.65) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Biphenyl SCHEMBL27596494 | 0.84 | CHRNB2 (0.62) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5482184 | 0.82 | CHRNB2 (0.61) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4779761 | 0.81 | CTSD (0.57) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL11325919 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL164881 | 0.80 | BCAT2 (0.71) | ALDH1A1CDC7BCAT2RAB9A | |
| SCHEMBL27804541 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3491462 | 0.79 | CTSD (0.53) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 |
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-118812539-A | 5-Aminotriazolopyrimidine derivative and preparation method thereof | 苏州大学 | 2024-10-22 | — | — | CN | claimed |
| CN-118812539-A | 5-Aminotriazolopyrimidine derivative and preparation method thereof | 苏州大学 | 2024-10-22 | — | — | CN | disclosed |