Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL319839 | 0.81 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL11959837 | 0.74 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL14983311 | 0.74 | ALDH1A1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL19336401 | 0.73 | ESR1 (0.56) | CYP1A2ALDH1A1CYP3A4HSD17B10CA1 | |
| SCHEMBL12044703 | 0.73 | ESR1 (0.56) | CYP1A2ALDH1A1CYP3A4HSD17B10CA1 | |
| Naphthalene SCHEMBL2263115 | 0.71 | CYP2A6 (0.67) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL14304431 | 0.68 | CYP2A6 (0.37) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL3187575 | 0.67 | CYP2A6 (0.73) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| Anthracene SCHEMBL5713428 | 0.67 | CYP2A6 (0.73) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL12626674 | 0.66 | — | — |
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-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | 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 (2 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-20120059163-A1 | Non-linear opticaly active molecules, their synthesis, and use | INCENP, CYBA, ADCY5 | CYP2A6 1574/4885CYP1A2 1562/4885ALDH1A1 371/4885 |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | INCENP, CYBA, PAICS | CYP2A6 1513/4885CYP1A2 1595/4885ALDH1A1 378/4885 |
“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.