Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3812391 | 0.85 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL30194840 | 0.83 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL3417124 | 0.83 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL9548239 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP1A2HSD17B10RAB9ANPC1 | |
| SCHEMBL11300979 | 0.80 | CYP3A4 (0.54) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL29067211 | 0.79 | CYP3A4 (0.68) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL29642680 | 0.78 | CYP3A4 (0.75) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL3944098 | 0.78 | CYP3A4 (0.75) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL138875 | 0.78 | CYP3A4 (0.75) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL25226140 | 0.78 | CYP3A4 (0.59) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103936709-A | Synthetic method of piperonal | LI DONGFENG | 2014-07-23 | — | — | CN | disclosed |
| EP-2222645-B1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | HOFFMANN LA ROCHE (CH) | 2013-03-20 | — | — | EP | disclosed |
| US-8008503-B2 | Methyl-benzimidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-08-30 | — | — | US | disclosed |
| US-20100331371-A1 | METHYL-BENZIMIDAZOLE DERIVATIVES | BENSON GREGORY MARTIN | 2010-12-30 | — | — | US | disclosed |
| US-7825258-B2 | Methyl-benzimidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-20090131482-A1 | METHYL-BENZIMIDAZOLE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-05-21 | — | — | US | disclosed |
| EP-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | 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 (3 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | CYP3A4 1458/4885ALDH1A1 519/4885CYP1A2 830/4885 |
| US-20090131482-A1 | METHYL-BENZIMIDAZOLE DERIVATIVES | HDAC10, CYP3A4, ECI1 | CYP3A4 2/4885ALDH1A1 154/4885CYP1A2 62/4885 |
| US-20100331371-A1 | METHYL-BENZIMIDAZOLE DERIVATIVES | HDAC10, CYP3A4, ECI1 | CYP3A4 2/4885ALDH1A1 154/4885CYP1A2 62/4885 |
“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.