Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 8/20 | 0.45 |
| ▸ | WEE1 | P30291 | 6/20 | 0.45 |
| ▸ | KIT | P10721 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MYLK | Q15746 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9622749 | 0.99 | CHEK1 (0.44) | CHEK1WEE1KITROCK2CYP1A2 | |
| SCHEMBL9622827 | 0.90 | KIT (0.44) | CHEK1WEE1KITROCK2CYP1A2 | |
| Hydrochloric Acid SCHEMBL9622494 | 0.89 | KIT (0.43) | CHEK1WEE1KITROCK2CYP1A2 | |
| SCHEMBL9622906 | 0.87 | ROCK2 (0.44) | CHEK1WEE1KITROCK2CYP1A2 | |
| Hydrochloric Acid SCHEMBL9623075 | 0.87 | ROCK2 (0.43) | CHEK1WEE1KITROCK2CYP1A2 | |
| SCHEMBL9622486 | 0.86 | PDGFRB (0.47) | ROCK2HPGDALOX15SMN1; SMN2MYLK | |
| SCHEMBL9622489 | 0.82 | MYLK (0.45) | CHEK1WEE1ROCK2MYLKSRC | |
| Hydrochloric Acid SCHEMBL9622791 | 0.82 | MYLK (0.45) | CHEK1WEE1ROCK2MYLKSRC | |
| SCHEMBL9623107 | 0.80 | MYLK (0.46) | CHEK1WEE1ROCK2MYLKSRC | |
| SCHEMBL29351301 | 0.80 | MYLK (0.46) | CHEK1WEE1ROCK2MYLKSRC |
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-5166204-A | ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME | TOYAMA CHEMICAL CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |