Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22300075 | 0.93 | ALOX5 (0.44) | CYP2A6CYP3A4ALDH1A1CYP1A2PTPN1 | |
| SCHEMBL1425328 | 0.81 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24319540 | 0.74 | MAPK14 (0.51) | CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22299320 | 0.74 | PTGS1 (0.49) | CYP3A4ALDH1A1CYP1A2PTPN1CYP2C9 | |
| SCHEMBL16694670 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL30187061 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL12402387 | 0.71 | CYP2A6 (0.61) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL12195715 | 0.70 | CYP2A6 (0.57) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24318549 | 0.69 | CYP2A6 (0.66) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL255577 | 0.69 | KDM4E (0.66) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220098217-A1 | COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE | LT MATERIALS CO., LTD. (KR) | 2022-03-31 | — | — | 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-20220098217-A1 | COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE | AOX1, OXER1, OR51E2 | CYP2A6 450/4885CYP3A4 278/4885ALDH1A1 14/4885 |
“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.