Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29518240 | 0.87 | — | — | |
| Methylamine SCHEMBL11559894 | 0.83 | CYP2D6 (0.36) | CYP2D6CYP2C19TSHR | |
| SCHEMBL9416346 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL28285237 | 0.79 | ALDH1A1 (0.37) | — | |
| SCHEMBL899244 | 0.76 | TSHR (0.30) | CYP2C19TSHR | |
| SCHEMBL13978035 | 0.76 | MME (0.31) | — | |
| SCHEMBL28829489 | 0.76 | TSHR (0.30) | CYP2C19TSHR | |
| SCHEMBL4933544 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL13977379 | 0.73 | MME (0.31) | — | |
| SCHEMBL31289963 | 0.72 | KDM4E (0.37) | TSHR |
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-117658821-A | Method for preparing amine by hydrogenation of nitro compound | 中国科学院过程工程研究所 | 2024-03-08 | — | — | CN | claimed |
| CN-117658821-A | Method for preparing amine by hydrogenation of nitro compound | 中国科学院过程工程研究所 | 2024-03-08 | — | — | CN | disclosed |