Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9753621 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP3A4TSHRCYP2C19POLB | |
| SCHEMBL9753178 | 0.95 | ALDH1A1 (0.35) | POLBATMALDH1A1 | |
| SCHEMBL9753179 | 0.95 | ALDH1A1 (0.35) | POLBATMALDH1A1 | |
| SCHEMBL9753457 | 0.77 | — | — | |
| SCHEMBL9753456 | 0.77 | — | — | |
| SCHEMBL6978793 | 0.76 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL6978788 | 0.76 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL9753445 | 0.73 | TSHR (0.31) | TSHR | |
| SCHEMBL9753442 | 0.73 | TSHR (0.31) | TSHR | |
| SCHEMBL5800590 | 0.72 | NPC1 (0.41) | CYP1A2CYP3A4TSHRCYP2C19POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991017979-A1 | PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES | DSM N.V. (NL) | 1991-11-28 | — | — | WO | disclosed |