Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | HTR2B | P41595 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033917 | 0.87 | CYP3A4 (0.84) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7279229 | 0.84 | TSHR (0.72) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL5226211 | 0.84 | CYP3A4 (0.91) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7279519 | 0.83 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2C9CYP2D6TSHR | |
| SCHEMBL6285300 | 0.83 | CYP3A4 (0.86) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6284854 | 0.83 | CYP3A4 (0.86) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6277791 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL14087055 | 0.83 | CYP3A4 (0.88) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6282564 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6285119 | 0.83 | CYP3A4 (0.84) | CYP3A4CYP1A2CYP2C9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407960-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| US-20070004751-A1 | Substituted heterocyclic compounds | ELZEIN ELFATIH | 2007-01-04 | — | — | US | disclosed |
| US-7125876-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-20040152890-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | 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-20040152890-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | CYP3A4 655/4885CYP1A2 882/4885CYP2C9 467/4885 |
| US-20070004751-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | CYP3A4 598/4885CYP1A2 782/4885CYP2C9 414/4885 |
“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.