Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP5 | P51878 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 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 SCHEMBL8580756 | 0.99 | CETP (0.49) | CETPHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL13033928 | 0.85 | CASP1 (0.47) | CETPHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL18029912 | 0.81 | ALDH1A1 (0.44) | HTR1ADRD2HTR2AHTR7HTR6 | |
| SCHEMBL1515373 | 0.79 | CASP1 (0.58) | ALDH1A1CASP1CASP4CASP5KDM4E | |
| Hydrochloric Acid SCHEMBL8582022 | 0.78 | CASP1 (0.56) | ALDH1A1CASP1CASP4CASP5KDM4E | |
| Hydrochloric Acid SCHEMBL8880842 | 0.76 | CETP (0.52) | CETPHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL20042186 | 0.73 | CASP1 (0.51) | ALDH1A1CASP1CASP4CASP5KDM4E | |
| SCHEMBL16847363 | 0.73 | CASP1 (0.61) | ALDH1A1CASP1CASP4CASP5KDM4E | |
| SCHEMBL5330907 | 0.73 | CETP (0.49) | CETPHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL602015 | 0.73 | HRH4 (0.59) | HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5204465-A | PROCESS FOR THE PRODUCTION OF PIPERAZINYLPYRIMIDINE DERIVATIVES | LONZA LTD. (CH) | 1993-04-20 | — | — | US | disclosed |
| EP-0491329-A1 | Process for the preparation of piperazinyl-pyrimidin derivatives | LONZA AG (CH) | 1992-06-24 | — | — | EP | disclosed |