Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 5/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 4/20 | 0.33 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11129671 | 0.81 | PARP1 (0.39) | PARP1ROCK2ROCK1KCNH2 | |
| SCHEMBL231126 | 0.77 | PARP1 (0.35) | HTR2AHTR2CHTR2BPARP1 | |
| Hydrochloric Acid SCHEMBL6070163 | 0.75 | PARP1 (0.35) | HTR2AHTR2CHTR2BPARP1 | |
| Hydrochloric Acid SCHEMBL5629042 | 0.75 | PARP1 (0.35) | HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL2636155 | 0.75 | HTR2C (0.39) | HTR2AHTR2CHTR2BBRD4ATAD2 | |
| SCHEMBL1740414 | 0.74 | HRH3 (0.38) | HTR2AHTR2CHTR2BBRD4ATAD2 | |
| SCHEMBL15587840 | 0.73 | MAP3K12 (0.43) | HTR2ABRD4TLR9TLR8TLR7 | |
| SCHEMBL5088449 | 0.72 | CCR1 (0.39) | HTR2AHTR2CHTR2BPARP1BMPR1B | |
| SCHEMBL28059202 | 0.72 | TAAR1 (0.46) | — | |
| SCHEMBL25719734 | 0.71 | HTR2C (0.44) | HTR2CBRD4ATAD2TLR9TLR8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0491328-B1 | Process for the preparation of piperazinyl-pyrimidin derivatives | LONZA AG (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5204465-A | PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES | LONZA LTD. (CH) | 1993-04-20 | — | — | US | disclosed |
| US-5200520-A | PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES | LONZA LTD. (CH) | 1993-04-06 | — | — | US | disclosed |
| EP-0491328-A1 | Process for the preparation of piperazinyl-pyrimidin derivatives | LONZA AG (CH) | 1992-06-24 | — | — | EP | disclosed |
| EP-0491329-A1 | Process for the preparation of piperazinyl-pyrimidin derivatives | LONZA AG (CH) | 1992-06-24 | — | — | EP | disclosed |