Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 2/20 | 0.46 |
| ▸ | RARG | P13631 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12203969 | 0.79 | KCNH2 (0.65) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL8960112 | 0.79 | RARB (0.48) | RARBRARGKCNH2KIF11ACACB | |
| SCHEMBL25413986 | 0.78 | RARB (0.65) | RARBRARGKIF11ALDH1A1ACACB | |
| SCHEMBL6318680 | 0.78 | APP (0.52) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL1746302 | 0.78 | RARB (0.52) | RARBRARGKIF11CYP2C19ACACB | |
| SCHEMBL7038356 | 0.78 | CYP2C19 (0.54) | CYP2A6RARBRARGKIF11CYP2C19 | |
| SCHEMBL23032123 | 0.78 | CYP2A6 (0.49) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL1239417 | 0.78 | PYCR1 (0.56) | CYP2A6KCNH2CYP2C19ALDH1A1GLA | |
| SCHEMBL7080591 | 0.78 | CYP2A6 (0.49) | CYP2A6KCNH2KIF11CYP2C19ALDH1A1 | |
| SCHEMBL11947284 | 0.78 | CYP2A6 (0.49) | CYP2A6KCNH2CYP2C19ALDH1A1GLA |
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-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-8518970-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-8232273-B2 | Heterocyclic compounds and methods of use | GENENTECH, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-20120184541-A1 | COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2012-07-19 | — | — | US | disclosed |
| US-8114893-B2 | Compounds and methods of use | GENENTECH, INC. (US) | 2012-02-14 | — | — | 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 (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-20120184541-A1 | COMPOUNDS AND METHODS OF USE | BCL2A1, BCL2, BAX | CYP2A6 2107/4885RARB 3385/4885RARG 4266/4885 |
“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.