Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | TACR2 | P21452 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19930192 | 1.00 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CA2CA1 | |
| SCHEMBL15682382 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CA2CA1 | |
| SCHEMBL19281434 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CA2CA1 | |
| SCHEMBL11881823 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CA2CA1 | |
| SCHEMBL20420626 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL13904867 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL8509668 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL20420637 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL8104097 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 | |
| SCHEMBL20420627 | 0.91 | ESR1 (0.61) | CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10 |
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-113480485-B | 1,2, 4-triaryl-1, 2, 4-triazoles compound and synthetic method thereof | 甘肃农业大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-111978201-B | Synthesis method of N, N' -diaryl benzoyl hydrazine compound | 甘肃农业大学 | 2023-01-03 | — | — | CN | disclosed |