Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MYLK | Q15746 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | CTSV | O60911 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9622462 | 0.90 | CHEK1 (0.45) | CHEK1SLC6A4HTR1DTRPM8CCNE2 | |
| SCHEMBL9623319 | 0.87 | ROCK2 (0.48) | CHEK1CDK4CCND1MYLKROCK2 | |
| Hydrochloric Acid SCHEMBL9622616 | 0.86 | ROCK2 (0.47) | CHEK1CDK4CCND1MYLKROCK2 | |
| SCHEMBL9623280 | 0.85 | KDM4E (0.45) | CHEK1HTR1DCCNE2CDK4PRKACA | |
| SCHEMBL9623259 | 0.84 | CHEK1 (0.43) | CHEK1MYLKROCK2 | |
| SCHEMBL9623359 | 0.83 | GSK3A (0.45) | CHEK1CCNE2CDK4CCND1CCNE1 | |
| SCHEMBL9622890 | 0.81 | CHEK1 (0.49) | CHEK1TRPM8CCNE2CDK4PRKACA | |
| SCHEMBL29386554 | 0.78 | PDGFRB (0.48) | CHEK1HTR1DCDK4CCND1KDM4E | |
| SCHEMBL9623119 | 0.78 | MYLK (0.47) | SLC6A4HTR1DCDK4CCND1KDM4E | |
| SCHEMBL9622994 | 0.78 | ROCK2 (0.45) | CHEK1MYLKROCK2 |
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 |