Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27584288 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL10823178 | 0.76 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL4543302 | 0.76 | LMNA (0.34) | ALDH1A1 | |
| SCHEMBL8856153 | 0.76 | LMNA (0.44) | ALDH1A1 | |
| SCHEMBL11069004 | 0.67 | — | — | |
| SCHEMBL14733092 | 0.67 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL21431010 | 0.66 | ALDH1A1 (0.30) | ALDH1A1 | |
| Chloropicrin SCHEMBL28110529 | 0.65 | TSHR (0.48) | ALDH1A1TSHR | |
| SCHEMBL4864713 | 0.65 | — | — | |
| SCHEMBL3289528 | 0.65 | TSHR (0.35) | ALDH1A1TSHRTDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6425966-B1 | A 2,2-DINITRO-1,3-PROPANEDIOL DIFORMATE | ALLIANT TECHSYSTEMS INC. | 2002-07-30 | — | — | US | claimed |
| US-8664247-B2 | Acyclic organonitro compounds for use in treating cancer | RADIORX, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-8664247-B2 | Acyclic organonitro compounds for use in treating cancer | RADIORX, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20130053418-A1 | ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2013-02-28 | — | — | US | disclosed |
| US-20130053418-A1 | ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2013-02-28 | — | — | US | disclosed |
| US-6425966-B1 | A 2,2-DINITRO-1,3-PROPANEDIOL DIFORMATE | ALLIANT TECHSYSTEMS INC. | 2002-07-30 | — | — | 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-20130053418-A1 | ACYCLIC ORGANONITRO COMPOUNDS FOR USE IN TREATING CANCER | GMNN, OTC, OAT | ALDH1A1 1345/4885TSHR 4528/4885TDP1 1766/4885 |
“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.