Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15247593 | 1.00 | CA1 (0.58) | CA1CA2ACHECA7CA9 | |
| SCHEMBL2401390 | 0.83 | CYP2D6 (0.61) | CA1CA2ACHECA7CA9 | |
| SCHEMBL20376231 | 0.83 | CYP2D6 (0.61) | CA1CA2ACHECA7CA9 | |
| SCHEMBL15473849 | 0.83 | CYP2D6 (0.61) | CA1CA2ACHECA7CA9 | |
| SCHEMBL8593107 | 0.81 | CA1 (0.56) | CA1CA2ACHECA7CA9 | |
| SCHEMBL15129378 | 0.78 | CA1 (0.50) | CA1CA2ACHECA7CA9 | |
| SCHEMBL15471247 | 0.78 | CA1 (0.53) | CA1CA2ACHECA7CA9 | |
| SCHEMBL22957863 | 0.78 | CA1 (0.53) | CA1CA2ACHECA7CA9 | |
| SCHEMBL10933460 | 0.78 | CA1 (0.53) | CA1CA2ACHECA7CA9 | |
| SCHEMBL10244994 | 0.78 | CA1 (0.53) | CA1CA2ACHECA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |