Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.46 |
| ▸ | CA9 | Q16790 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28733738 | 0.93 | IDO1 (0.44) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL20571809 | 0.77 | TDP1 (0.47) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL23367108 | 0.77 | KDM4E (0.40) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL31245822 | 0.76 | CA12 (0.54) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL20267303 | 0.76 | TSHR (0.47) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL2551266 | 0.75 | KDM4E (0.50) | KDM4E | |
| SCHEMBL6937740 | 0.75 | CA12 (0.62) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL28254377 | 0.75 | CA1 (0.44) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL10748319 | 0.74 | CA12 (0.38) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL10748328 | 0.74 | CA12 (0.38) | CA12CA1CA2CA9TDP1 |
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-1364163-A | Method for producing 2-aminomethyl-4-cyano-thiazol | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |