Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13615622 | 0.91 | TSHR (0.48) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL4459017 | 0.83 | TSHR (0.50) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL30405390 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL380703 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL30405562 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL19426881 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| Cyclohexane SCHEMBL10948412 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL16393911 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL6290793 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD | |
| SCHEMBL30404988 | 0.72 | TSHR (0.93) | TSHRMAOAMAOBCYP2A6HPGD |
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-111620899-B | Synthetic method of benzo-boron-nitrogen-naphthalene thiophene derivative | 九江学院 | 2022-12-20 | — | — | CN | claimed |