Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.31 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2680 | 0.97 | — | — | |
| SCHEMBL27356586 | 0.95 | — | — | |
| SCHEMBL27698774 | 0.88 | MAOB (0.36) | MAOBTSHRKDM1AHTR2CMAOA | |
| Trimethylammonium SCHEMBL27854097 | 0.88 | MAOB (0.41) | MAOBTSHRKDM1AHTR2CMAOA | |
| SCHEMBL19630481 | 0.82 | TSHR (0.50) | MAOBTSHRKDM1AHTR2CMAOA | |
| SCHEMBL1588014 | 0.78 | CES1 (0.43) | MAOBTSHRMAOAPARP1CES1 | |
| SCHEMBL29385098 | 0.72 | PARP1 (0.40) | MAOBTSHRKDM1AHTR2CCYP11B1 | |
| SCHEMBL160705 | 0.72 | PARP1 (0.40) | MAOBTSHRKDM1AHTR2CCYP11B1 | |
| SCHEMBL20184216 | 0.72 | MAOB (0.39) | MAOBTSHRKDM1AHTR2CCYP11B1 | |
| SCHEMBL1191864 | 0.72 | TSHR (0.43) | TSHRCYP11B1CYP11B2PARP1 |
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-118184712-A | Method for interfering with continuous movement of carbon atoms in organic molecules | 河南省科学院化学研究所有限公司 | 2024-06-14 | — | — | CN | disclosed |