Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | DRD3 | P35462 | 2/20 | 0.67 |
| ▸ | HTR2B | P41595 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.67 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080411 | 0.94 | CYP3A4 (0.63) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077407 | 0.94 | CYP2D6 (0.64) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7073659 | 0.91 | CYP2D6 (0.64) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7078491 | 0.90 | CYP2D6 (0.66) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077862 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077323 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077311 | 0.88 | CYP2D6 (0.58) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077606 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL7077620 | 0.86 | CYP3A4 (0.63) | CYP3A4CYP2D6TSHRADRB1ADRA2A | |
| SCHEMBL6286482 | 0.86 | CYP3A4 (0.64) | CYP3A4CYP2D6TSHRADRB1ADRA2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030064994-A1 | Substituted alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2003-04-03 | — | — | US | claimed |
| US-6451798-B2 | PROTECTING SKELETAL MUSCLES AGAINST TRAUMA DAMAGE AND SUBSEQUENT TO DISEASE; TREATING SHOCK AND CARDIOVASCULAR DISEASES; PRESERVING DONOR TISSUE AND ORGANS USED IN TRANSPLANTS | CV THERAPEUTICS, INC. | 2002-09-17 | — | — | US | claimed |
| US-20010047001-A1 | Substituted alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2001-11-29 | — | — | US | claimed |
| US-20030064994-A1 | Substituted alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2003-04-03 | — | — | US | disclosed |
| EP-1259493-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6451798-B2 | PROTECTING SKELETAL MUSCLES AGAINST TRAUMA DAMAGE AND SUBSEQUENT TO DISEASE; TREATING SHOCK AND CARDIOVASCULAR DISEASES; PRESERVING DONOR TISSUE AND ORGANS USED IN TRANSPLANTS | CV THERAPEUTICS, INC. | 2002-09-17 | — | — | US | disclosed |
| US-20010047001-A1 | Substituted alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2001-11-29 | — | — | US | disclosed |
| WO-2001062744-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2001-08-30 | — | — | WO | 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-20010047001-A1 | Substituted alkyl piperazine derivatives | ATP2A1, CPT1B, TNNC1 | CYP3A4 2711/4885CYP2D6 1185/4885TSHR 4388/4885 |
| US-20030064994-A1 | Substituted alkyl piperazine derivatives | ATP2A1, CPT1B, TNNC1 | CYP3A4 2711/4885CYP2D6 1185/4885TSHR 4388/4885 |
“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.