Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10592066 | 0.79 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL6623386 | 0.79 | TSHR (0.43) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL11159228 | 0.78 | TSHR (0.35) | TSHRLMNACYP2A6CYP1A2 | |
| SCHEMBL30480021 | 0.78 | TSHR (0.35) | TSHRLMNACYP2A6CYP1A2 | |
| SCHEMBL3002500 | 0.78 | TSHR (0.35) | TSHRLMNACYP2A6CYP1A2 | |
| SCHEMBL1579385 | 0.77 | TSHR (0.53) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL13406819 | 0.74 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10706514 | 0.74 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL31081489 | 0.74 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL11571374 | 0.74 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 |
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-115246858-A | Phosphine-oxa bidentate ligand and its coordinated transition metal complex and use | 东莞市均成高新材料有限公司 | 2022-10-28 | — | — | CN | disclosed |