Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.55 |
| ▸ | KIF11 | P52732 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.51 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29387897 | 0.98 | CYP19A1 (0.57) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| SCHEMBL13577 | 0.98 | CYP19A1 (0.57) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| SCHEMBL7068828 | 0.98 | CYP19A1 (0.57) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL28655959 | 0.95 | CYP19A1 (0.55) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Water SCHEMBL27638122 | 0.95 | CYP3A4 (0.56) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Bromide SCHEMBL29204966 | 0.95 | CYP19A1 (0.55) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL21796041 | 0.95 | CYP19A1 (0.55) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Lithium SCHEMBL30216964 | 0.95 | CYP19A1 (0.55) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Lithium Ion SCHEMBL28974295 | 0.93 | CYP19A1 (0.53) | CYP19A1KIF11TSHRALDH1A1CYP3A4 | |
| Hydrazine SCHEMBL28287990 | 0.93 | CYP19A1 (0.53) | CYP19A1KIF11TSHRALDH1A1CYP3A4 |
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-117304094-A | Synthesis method of 3-trifluoromethyl pyridine or 3-difluoro methyl pyridine compound | 瑞博(杭州)医药科技有限公司 | 2023-12-29 | — | — | CN | disclosed |