Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ELOVL1 | Q9BW60 | 6/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 SCHEMBL624262 | 0.99 | CYP1A2 (0.50) | CYP1A2CYP2C19ADRB1HRH4KDM4E | |
| SCHEMBL15006808 | 0.80 | ACACB (0.42) | CYP1A2CYP2C19ELOVL1ACACB | |
| SCHEMBL14982161 | 0.77 | CYP2C19 (0.67) | CYP1A2CYP2C19ADRB1HRH4ALDH1A1 | |
| SCHEMBL3325398 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP2C19ADRB1HRH4ALDH1A1 | |
| SCHEMBL10202518 | 0.77 | HRH4 (0.47) | CYP1A2CYP2C19ADRB1HRH4ELOVL1 | |
| Hydrochloric Acid SCHEMBL623689 | 0.76 | HRH4 (0.46) | CYP1A2CYP2C19ADRB1HRH4ELOVL1 | |
| Hydrochloric Acid SCHEMBL624763 | 0.76 | HRH4 (0.46) | CYP1A2CYP2C19ADRB1HRH4ELOVL1 | |
| Hydrochloric Acid SCHEMBL14973091 | 0.76 | CYP2C19 (0.65) | CYP1A2CYP2C19ADRB1HRH4ALDH1A1 | |
| SCHEMBL623305 | 0.74 | GPR119 (0.50) | ACACB | |
| SCHEMBL10203497 | 0.74 | LRRK2 (0.52) | CYP1A2CYP2C19ADRB1HRH4ACACB |
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 |
|---|---|---|---|---|---|---|---|
| US-8999974-B2 | Acyl piperazine derivatives as TTX-S blockers | RAQUALIA PHARMA INC. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-8999974-B2 | Acyl piperazine derivatives as TTX-S blockers | RAQUALIA PHARMA INC. (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20130150356-A1 | Acyl Piperazine Derivatives as TTX-S Blockers | RAQUALIA PHARMA INC. (JP) | 2013-06-13 | — | — | US | disclosed |
| WO-2012020567-A1 | ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012020567-A1 | ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-02-16 | — | — | 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 (1 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-20130150356-A1 | Acyl Piperazine Derivatives as TTX-S Blockers | SCN5A, SCN2A, CACNA1G | CYP1A2 3527/4885CYP2C19 4608/4885ADRB1 968/4885 |
“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.