Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | TYMS | P04818 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL22646621 | 0.94 | PDK2 (0.46) | PDK2AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL24543926 | 0.89 | MAPK1 (0.44) | PDK2AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL24544402 | 0.89 | PDK2 (0.40) | PDK2AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL24334667 | 0.88 | PDK2 (0.38) | PDK2AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL19147675 | 0.86 | PDK2 (0.58) | PDK2AKR1A1AKR1B1TP53CYP2A6 | |
| SCHEMBL17816711 | 0.84 | PDK2 (0.56) | PDK2AKR1A1AKR1B1CYP2A6S100A4 | |
| SCHEMBL29516015 | 0.84 | ALDH1A1 (0.54) | PDK2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL19974426 | 0.84 | ALDH1A1 (0.54) | PDK2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL22646734 | 0.84 | PDK2 (0.50) | PDK2AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL26025138 | 0.84 | PDK2 (0.41) | PDK2AKR1A1AKR1B1ALDH1A1TSHR |
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-20200052222-A1 | ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND | LG DISPLAY CO., LTD. (KR) | 2020-02-13 | — | — | 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-20200052222-A1 | ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND | AAAS, ORC3, TRPA1 | PDK2 2074/4885AKR1A1 2254/4885AKR1B1 1875/4885 |
“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.