Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13338757 | 0.89 | CYP2A6 (0.41) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13338522 | 0.87 | CYP2A6 (0.45) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13338407 | 0.85 | CYP2A6 (0.44) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL31098968 | 0.85 | CYP2A6 (0.44) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13338384 | 0.85 | CYP2A6 (0.50) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13338449 | 0.83 | KDM4E (0.41) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13367577 | 0.81 | CYP2A6 (0.47) | CYP2A6F12PLAUNCF1NOS3 | |
| SCHEMBL13338707 | 0.80 | LMNA (0.40) | CYP2A6LMNAF12PLAUNCF1 | |
| SCHEMBL13338828 | 0.78 | EGFR (0.47) | CYP2A6S100A4RAB9A | |
| SCHEMBL13338565 | 0.78 | CYP3A4 (0.40) | CYP2A6LMNAF12PLAUNCF1 |
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-20100108997-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-05-06 | — | — | 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-20100108997-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | OR10J3, OCIAD1, OCIAD2 | CYP2A6 2286/4885LMNA 4085/4885F12 2481/4885 |
“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.