Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29562021 | 0.98 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL26028 | 0.98 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4853363 | 0.87 | CYP1A2 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4853248 | 0.85 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4845200 | 0.85 | ALDH1A1 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4848697 | 0.85 | CYP1A2 (0.37) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4850326 | 0.84 | ALDH1A1 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4852228 | 0.84 | ALDH1A1 (0.49) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4852131 | 0.84 | HSD17B10 (0.50) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4851840 | 0.83 | CYP1A2 (0.36) | CYP1A2ERBB2FYNMAOAACHE |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11655203-B2 | Nitration | ETH ZURICH (CH) | 2023-05-23 | — | — | US | claimed |
| US-20220009875-A1 | NITRATION | ETH ZURICH (CH) | 2022-01-13 | — | — | US | claimed |
| CN-113302186-A | Nitration | 瑞士苏黎世联邦理工学院 | 2021-08-24 | — | — | CN | claimed |
| EP-3717464-B1 | NITRATION | ETH ZUERICH (CH) | 2021-06-16 | — | — | EP | claimed |
| EP-3717464-A1 | NITRATION | ETH Zurich (CH) | 2020-10-07 | — | — | EP | claimed |
| US-11655203-B2 | Nitration | ETH ZURICH (CH) | 2023-05-23 | — | — | US | disclosed |
| US-20220009875-A1 | NITRATION | ETH ZURICH (CH) | 2022-01-13 | — | — | US | disclosed |
| CN-113302186-A | Nitration | 瑞士苏黎世联邦理工学院 | 2021-08-24 | — | — | CN | disclosed |
| EP-3717464-B1 | NITRATION | ETH ZUERICH (CH) | 2021-06-16 | — | — | EP | disclosed |
| EP-3717464-A1 | NITRATION | ETH Zurich (CH) | 2020-10-07 | — | — | EP | 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 (2 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-20220009875-A1 | NITRATION | NOS1, NOS2, NOS3 | CYP1A2 156/4885ERBB2 2551/4885FYN 211/4885 |
| US-11655203-B2 | Nitration | NOS1, NOS2, NOS3 | CYP1A2 156/4885ERBB2 2551/4885FYN 211/4885 |
“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.