Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.39 |
| ▸ | RELA | Q04206 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 10/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 10/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 10/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28133212 | 0.83 | ADRA2A (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL13345019 | 0.80 | MTNR1A (0.43) | CYP1A2HTR2CMTNR1AMTNR1B | |
| SCHEMBL6944904 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL20826614 | 0.70 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL13344946 | 0.69 | HPRT1 (0.39) | — | |
| SCHEMBL4591392 | 0.69 | TP53 (0.40) | — | |
| SCHEMBL27488330 | 0.69 | HTR6 (0.56) | ADRA2BADRA2CMTNR1AMTNR1B | |
| SCHEMBL28159355 | 0.68 | ADRA2A (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL20569762 | 0.68 | ADRA2A (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL27504897 | 0.67 | HTR6 (0.54) | ADRA2BADRA2CMTNR1AMTNR1B |
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 | CYP1A2 95/4885CYP2D6 67/4885CYP2C9 467/4885 |
“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.