Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26873044 | 0.98 | CYP2A6 (0.64) | CYP2A6CYP1A2F12PLAUNCF1 | |
| SCHEMBL26873046 | 0.86 | CYP2A6 (0.71) | CYP2A6CYP1A2F12PLAUNCF1 | |
| SCHEMBL26873049 | 0.85 | CYP2A6 (0.69) | CYP2A6CYP1A2F12PLAUNCF1 | |
| SCHEMBL26873052 | 0.85 | CYP2A6 (0.53) | CYP2A6CYP1A2MAPTALDH1A1HSD17B10 | |
| SCHEMBL26873057 | 0.85 | CYP2A6 (0.53) | CYP2A6CYP1A2F12PLAUNCF1 | |
| SCHEMBL70488 | 0.80 | CYP2A6 (1.00) | CYP2A6CYP1A2F12PLAUNCF1 | |
| Hydrochloric Acid SCHEMBL2830989 | 0.78 | CYP2A6 (0.95) | CYP2A6CYP1A2F12PLAUNCF1 | |
| SCHEMBL21133778 | 0.78 | CYP2A6 (0.54) | CYP2A6CYP1A2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL29827768 | 0.78 | CYP2A6 (0.95) | CYP2A6CYP1A2F12PLAUNCF1 | |
| Iodide SCHEMBL27536286 | 0.78 | CYP2A6 (0.95) | CYP2A6CYP1A2F12PLAUNCF1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023221346-A1 | ORGANOMETALLIC COMPOUND AND USE THEREOF, LIGHT-EMITTING DEVICE AND LIGHT-EMITTING APPARATUS | 吉林奥来德光电材料股份有限公司 | 2023-11-23 | — | — | WO | disclosed |
| US-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |
| US-20160056388-A1 | HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION | TOSOH CORPORATION (JP) | 2016-02-25 | — | — | US | disclosed |
| US-20160056388-A1 | HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION | TOSOH CORPORATION (JP) | 2016-02-25 | — | — | US | disclosed |
| EP-1061919-A4 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RES TRIANGLE INST (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1061919-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | Carrol, Frank Ivy (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999045925-A1 | NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE | RESEARCH TRIANGLE INSTITUTE (US) | 1999-09-16 | — | — | 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 (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-20160056388-A1 | HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION | AOC2, AZI2, KCNH2 | CYP2A6 3145/4885CYP1A2 978/4885F12 2314/4885 |
“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.