Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL28211871 | 0.87 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAESR1KCNH2 | |
| O-Tolylamine SCHEMBL1686216 | 0.85 | TDP1 (0.58) | CYP3A4ESR1KCNH2CD44ALDH1A1 | |
| Oxalic Acid SCHEMBL11574385 | 0.84 | CYP3A4 (0.54) | CYP3A4TSHRPIK3CAESR1KCNH2 | |
| Acetic Acid SCHEMBL11035058 | 0.84 | CYP3A4 (0.54) | CYP3A4TSHRPIK3CATRPA1CD44 | |
| Hydrogen Peroxide SCHEMBL28415811 | 0.84 | CYP3A4 (0.65) | CYP3A4TSHRPIK3CATRPA1CD44 | |
| Trifluoroacetic Acid SCHEMBL4452739 | 0.83 | TDP1 (0.37) | CYP3A4TSHRPIK3CAESR1KCNH2 | |
| Benzene SCHEMBL29109286 | 0.82 | CYP3A4 (0.68) | CYP3A4TSHRPIK3CATRPA1CD44 | |
| Trifluoromethanesulfonic Acid SCHEMBL1005216 | 0.80 | TRPA1 (0.45) | CYP3A4TSHRPIK3CAESR1KCNH2 | |
| SCHEMBL29440219 | 0.79 | — | — | |
| SCHEMBL28788726 | 0.79 | CYP3A4 (0.72) | CYP3A4TSHRPIK3CATRPA1CD44 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| US-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Instituto di Ricerche di Biologia Molecolare P. Ang | 2011-07-28 | — | — | 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-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | SMO, SHH, GLI1 | CYP3A4 3611/4885TSHR 854/4885PIK3CA 1129/4885 |
“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.