Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3609423 | 0.72 | MAOB (0.46) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL31530203 | 0.70 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL25735776 | 0.70 | CYP1A2 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL28064225 | 0.70 | CYP1A2 (0.70) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL676381 | 0.68 | SMN1; SMN2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL15570965 | 0.68 | SMN1; SMN2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27905069 | 0.67 | SMN1; SMN2 (0.72) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL19567209 | 0.66 | SMN1; SMN2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4639217 | 0.66 | MAOB (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27681559 | 0.66 | SMN1; SMN2 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | claimed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | 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-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | CYP1A2 24/4885CYP2D6 15/4885CYP2C9 11/4885 |
“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.