Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.49 |
| ▸ | LCK | P06239 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IAPP | P10997 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15257568 | 1.00 | CNR2 (0.61) | CNR2TYRTUBB1LCKCASP1 | |
| SCHEMBL2186413 | 0.83 | CNR2 (0.67) | CNR2TYRTUBB1LCKCASP1 | |
| SCHEMBL16016282 | 0.83 | CNR2 (0.67) | CNR2TYRTUBB1LCKCASP1 | |
| SCHEMBL13469123 | 0.83 | TUBB1 (0.49) | CNR2TUBB1LCKCASP1TSHR | |
| SCHEMBL2186412 | 0.83 | CNR2 (0.67) | CNR2TYRTUBB1LCKCASP1 | |
| SCHEMBL9746195 | 0.82 | LCK (0.73) | CNR2TYRLCKCASP1TSHR | |
| SCHEMBL328541 | 0.82 | LCK (0.73) | CNR2TYRLCKCASP1TSHR | |
| SCHEMBL30433974 | 0.82 | LCK (0.73) | CNR2TYRLCKCASP1TSHR | |
| SCHEMBL152686 | 0.82 | LCK (0.73) | CNR2TYRLCKCASP1TSHR | |
| SCHEMBL19250176 | 0.79 | TUBB1 (0.50) | CNR2TYRTUBB1TSHRPTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718688-B2 | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-18 | — | — | US | disclosed |
| US-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-05-22 | — | — | 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-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | HIF1AN, HYOU1, HIF1A | CNR2 175/4885TYR 1244/4885TUBB1 908/4885 |
“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.