Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL4177502 | 0.75 | PLD1 (0.43) | PLD1ALDH1A1 | |
| SCHEMBL10378160 | 0.74 | SIGMAR1 (0.48) | SLC6A4HTR2AHTR2CHTR2B | |
| SCHEMBL3714823 | 0.71 | PLD1 (0.48) | ADRB2NCF1PLD1ROCK1ALDH1A1 | |
| SCHEMBL6240273 | 0.69 | ADRB2 (0.33) | ADRB2NCF1PLD1 | |
| SCHEMBL24327381 | 0.68 | AOC3 (0.46) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL9166944 | 0.66 | AOC3 (0.45) | ALDH1A1CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL5349895 | 0.65 | CHRM5 (0.43) | ADRB2NCF1PLD1SLC6A4HTR2C | |
| SCHEMBL6240015 | 0.64 | KIT (0.31) | — | |
| SCHEMBL3949161 | 0.62 | OPRM1 (0.49) | ADRB2NCF1PLD1ROCK1CYP2D6 | |
| Dalfampridine SCHEMBL28141942 | 0.62 | ADRB2 (0.46) | ADRB2NCF1PLD1ROCK1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612076-B2 | Piperazinyl-pyridine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-11-03 | — | — | US | disclosed |
| US-20090042903-A1 | PIPERAZINYL-PYRIDINE DERIVATIVES | NETTEKOVEN MATTHIAS HEINRICH | 2009-02-12 | — | — | US | disclosed |
| US-7456175-B2 | Piperazinyl-pyridine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-11-25 | — | — | US | disclosed |
| US-20060135528-A1 | Piperazinyl-pyridine derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060135528-A1 | Piperazinyl-pyridine derivatives | HRH4, HRH3, H1-3 | ADRB2 52/4885NCF1 2799/4885PLD1 3147/4885 |
| US-20090042903-A1 | PIPERAZINYL-PYRIDINE DERIVATIVES | HRH4, HRH3, H1-3 | ADRB2 52/4885NCF1 2799/4885PLD1 3147/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.