Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL5516349 | 0.85 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL31469332 | 0.76 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13910994 | 0.68 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL14141735 | 0.67 | RAB9A (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL15885104 | 0.66 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL6546123 | 0.66 | MAPK14 (0.58) | ADORA2A | |
| SCHEMBL3930250 | 0.65 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL31284734 | 0.65 | CYP2A6 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL1679638 | 0.64 | CYP3A4 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL9727832 | 0.64 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 |
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-20070203155-A1 | Compounds And Compositions As Ppar Modulators | IRM LLC (BM) | 2007-08-30 | — | — | US | disclosed |
| US-20070203155-A1 | Compounds And Compositions As Ppar Modulators | IRM LLC (BM) | 2007-08-30 | — | — | US | disclosed |
| CN-1980906-A | Compounds and compositions as PPAR modulators | IRM LLC (BM) | 2007-06-13 | — | — | CN | disclosed |
| EP-1748993-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005116000-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2005-12-08 | — | — | 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-20070203155-A1 | Compounds And Compositions As Ppar Modulators | PPARG, PPARA, PPARD | CYP2A6 533/4885CYP3A4 1203/4885ALDH1A1 1651/4885 |
“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.