Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL10318653 | 0.80 | CYP1A2 (0.33) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL10317792 | 0.76 | CYP1A2 (0.31) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL37955 | 0.74 | TSHR (0.45) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL5494672 | 0.74 | TSHR (0.45) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL571577 | 0.71 | TSHR (0.43) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL5181689 | 0.71 | TSHR (0.43) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| SCHEMBL10346182 | 0.71 | TSHR (0.43) | CYP1A2CYP2A6TSHRTDP2NSD2 | |
| Bromide SCHEMBL4249586 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10319935 | 0.70 | — | — | |
| SCHEMBL4699685 | 0.65 | ALDH1A1 (0.45) | CYP1A2CYP2A6TSHRTDP2NSD2 |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |