Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
| ▸ | C5AR1 | P21730 | 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 | |
|---|---|---|---|---|
| SCHEMBL28040366 | 0.78 | KDM4E (0.32) | TSHRACHE | |
| SCHEMBL28040349 | 0.78 | ACHE (0.43) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL988389 | 0.77 | KDM4E (0.34) | TSHRACHELMNAALOX12 | |
| SCHEMBL12609408 | 0.77 | RAPGEF4 (0.43) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL28040487 | 0.77 | CYP1A2 (0.36) | CYP1A2CYP2A6TSHRACHELMNA | |
| Hydrochloric Acid SCHEMBL1033243 | 0.75 | RAPGEF4 (0.41) | CYP1A2CYP2A6TSHRACHELMNA | |
| Ethylene SCHEMBL29078356 | 0.74 | TSHR (0.39) | TSHRACHELMNAALOX12SMN1; SMN2 | |
| SCHEMBL9319622 | 0.74 | TDP1 (0.37) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL28278745 | 0.74 | TSHR (0.44) | CYP2A6TSHRACHELMNAALOX12 | |
| SCHEMBL52125 | 0.74 | TSHR (0.44) | CYP2A6TSHRACHELMNAALOX12 |
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 |