Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8972196 | 0.81 | HTR2A (0.33) | PARP1ROCK1ROCK2KCNH2 | |
| SCHEMBL231126 | 0.77 | PARP1 (0.35) | PARP1 | |
| Hydrochloric Acid SCHEMBL5629042 | 0.75 | PARP1 (0.35) | PARP1 | |
| Hydrochloric Acid SCHEMBL6070163 | 0.75 | PARP1 (0.35) | PARP1 | |
| SCHEMBL28063327 | 0.75 | HRH3 (0.42) | HRH3CCNT1CDK9 | |
| SCHEMBL2858277 | 0.74 | HRH3 (0.43) | PARP1HRH3CDK9 | |
| SCHEMBL2033253 | 0.73 | CHEK1 (0.46) | CCNT1CDK9ROCK1ROCK2KCNH2 | |
| SCHEMBL28245182 | 0.73 | CHEK1 (0.46) | CCNT1CDK9ROCK1ROCK2KCNH2 | |
| SCHEMBL3567520 | 0.71 | MKNK1 (0.44) | HRH3CCNT1CDK9ROCK1 | |
| SCHEMBL30620605 | 0.71 | PRKCI (0.41) | PARP1HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58057370-A | — | — | None | — | — | JP | disclosed |
| JP-S5857370-A | 4-AMINO-2-PIPERAZINYLPYRIMIDINE DERIVATIVE AND ITS PREPARATION | MITSUI PETROCHEM IND LTD | 1983-04-05 | — | — | JP | disclosed |