Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.41 |
| ▸ | WEE1 | P30291 | 10/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | MYLK | Q15746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL9623075 | 0.99 | ROCK2 (0.43) | ROCK2MAOBCHEK1WEE1KIT | |
| SCHEMBL9622994 | 0.90 | ROCK2 (0.45) | ROCK2CHEK1WEE1MYLK | |
| SCHEMBL9623324 | 0.87 | CHEK1 (0.45) | ROCK2CHEK1WEE1KITMYLK | |
| SCHEMBL9622827 | 0.87 | KIT (0.44) | ROCK2CHEK1WEE1KITMYLK | |
| Hydrochloric Acid SCHEMBL9622749 | 0.87 | CHEK1 (0.44) | ROCK2CHEK1WEE1KITMYLK | |
| Hydrochloric Acid SCHEMBL9622494 | 0.87 | KIT (0.43) | ROCK2CHEK1WEE1KITMYLK | |
| SCHEMBL9623280 | 0.84 | KDM4E (0.45) | MAOBCHEK1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL9623320 | 0.83 | CHEK1 (0.44) | ROCK2CHEK1WEE1MYLKALDH1A1 | |
| Hydrochloric Acid SCHEMBL9622769 | 0.82 | CHEK1 (0.44) | ROCK2CHEK1WEE1MYLKALDH1A1 | |
| SCHEMBL9623319 | 0.82 | ROCK2 (0.48) | ROCK2CHEK1WEE1MYLK |
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 |