Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.44 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17922587 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL17922685 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28740008 | 0.79 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28416912 | 0.79 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28557531 | 0.79 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27603737 | 0.76 | ALDH1A1 (0.85) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL2954516 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL9488488 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28834629 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107004906-A | Magnesium-containing electrolyte | 和光纯药工业株式会社 | 2017-08-01 | — | — | CN | disclosed |
| US-20160200639-A1 | INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2016-07-14 | — | — | 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-20160200639-A1 | INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES | CCNH, CTTN, CCRL2 | ALDH1A1 3641/4885CYP1A1 958/4885CYP1B1 2694/4885 |
“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.