Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5872651 | 0.78 | MKNK1 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL28792527 | 0.76 | CYP2A6 (0.42) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL11717540 | 0.75 | CYP2A6 (0.45) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL4944013 | 0.74 | CYP2A6 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL28480938 | 0.74 | MKNK1 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL16694670 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL30026143 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL30187061 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL20541087 | 0.72 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2TDO2 | |
| SCHEMBL24319009 | 0.71 | MAPK14 (0.79) | CYP2A6CYP3A4CYP1A2MAPK14LMNA |
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.