Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6286713 | 1.00 | CYP3A4 (0.63) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6702622 | 0.93 | CYP3A4 (0.54) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6702627 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6286309 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6281596 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL5228644 | 0.89 | CYP3A4 (0.66) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6283483 | 0.89 | CYP3A4 (0.60) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL5227893 | 0.87 | CYP3A4 (0.71) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL5224706 | 0.84 | CYP3A4 (0.61) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL6283749 | 0.84 | CYP3A4 (0.57) | CYP3A4CYP2D6TSHRNFKB1ADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6849632-B2 | Heteroaryl alkyl piperazine derivatives | CV THERAPEUTICS, INC. (US) | 2005-02-01 | — | — | US | disclosed |
| US-20040192702-A1 | Heteroaryl alkyl piperazine derivatives | ZABLOCKI JEFF (US) | 2004-09-30 | — | — | US | disclosed |
| US-20030216409-A1 | Heteroaryl alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2003-11-20 | — | — | 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-20040192702-A1 | Heteroaryl alkyl piperazine derivatives | ATP2A1, CPT1B, ATP2A3 | CYP3A4 2560/4885CYP2D6 1098/4885TSHR 4265/4885 |
| US-20030216409-A1 | Heteroaryl alkyl piperazine derivatives | ATP2A1, CPT1B, ATP2A3 | CYP3A4 2560/4885CYP2D6 1098/4885TSHR 4265/4885 |
“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.