Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL3033291 | 0.79 | CYP1A1 (0.46) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL30233883 | 0.79 | CYP1A1 (0.43) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL25026056 | 0.79 | CYP1A1 (0.43) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL22359538 | 0.78 | ALDH1A1 (0.46) | BACE1KDM4EKIF11CES2EPHX2 | |
| SCHEMBL12656445 | 0.78 | CYP1A1 (0.49) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL14186116 | 0.77 | CYP3A4 (0.38) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL21237094 | 0.75 | BACE1 (0.43) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL25872852 | 0.75 | CYP1A1 (0.40) | CYP1A1CYP1B1PDE2ABACE1KDM4E | |
| SCHEMBL25074678 | 0.73 | PDE2A (0.41) | PDE2ACES2MAPT | |
| SCHEMBL14546609 | 0.73 | AMY1A (0.44) | CYP1A1CYP1B1BACE1KDM4ERAPGEF4 |
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-11168085-B2 | Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne | SYNAFFIX B.V. (NL) | 2021-11-09 | — | — | 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-11168085-B2 | Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne | AHR, CYP1B1, NAT1 | CYP1A1 5/4885CYP1B1 2/4885PDE2A 4728/4885 |
“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.