Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | SGK1 | O00141 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL29036406 | 0.98 | LOXL2 (0.48) | LOXL2MAOBCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28026403 | 0.81 | TSHR (0.38) | MAOBTSHRMAPTMAPK1TDP1 | |
| SCHEMBL28025868 | 0.79 | TSHR (0.36) | TSHRMAPTMAPK1TDP1L3MBTL1 | |
| Toluene SCHEMBL28083694 | 0.79 | LMNA (0.48) | CYP2C9TSHRMAPTTDP1SMN1; SMN2 | |
| SCHEMBL5193 | 0.76 | — | — | |
| Phenol SCHEMBL27650418 | 0.76 | CA12 (0.44) | TDP1 | |
| Ammonia Solution, Strong SCHEMBL5916930 | 0.73 | — | — | |
| Benzylamine SCHEMBL8526745 | 0.71 | LOXL2 (0.88) | LOXL2MAOBCYP1A2CYP2D6CYP2C9 | |
| Benzylamine SCHEMBL9006462 | 0.71 | LOXL2 (0.88) | LOXL2MAOBCYP1A2CYP2D6CYP2C9 | |
| Benzylamine SCHEMBL1331207 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116199670-B | One-pot method for preparing S-217622 intermediate and application | 赣南医科大学 | 2025-04-15 | — | — | CN | claimed |
| CN-116199670-A | One-pot method for preparing S-217622 intermediate and application thereof | 赣南医学院 | 2023-06-02 | — | — | CN | claimed |
| CN-116199670-B | One-pot method for preparing S-217622 intermediate and application | 赣南医科大学 | 2025-04-15 | — | — | CN | disclosed |
| CN-116199670-B | One-pot method for preparing S-217622 intermediate and application | 赣南医科大学 | 2025-04-15 | — | — | CN | disclosed |
| CN-116199670-A | One-pot method for preparing S-217622 intermediate and application thereof | 赣南医学院 | 2023-06-02 | — | — | CN | disclosed |
| CN-116199670-A | One-pot method for preparing S-217622 intermediate and application thereof | 赣南医学院 | 2023-06-02 | — | — | CN | disclosed |