Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL166894 | 0.79 | TP53 (0.61) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL28805948 | 0.77 | TP53 (0.58) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| Benzene SCHEMBL9785236 | 0.77 | TP53 (0.67) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| SCHEMBL28256639 | 0.77 | TP53 (0.58) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| Ethylene SCHEMBL27256792 | 0.74 | TP53 (0.55) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| Hydrogen Peroxide SCHEMBL11520377 | 0.74 | TP53 (0.63) | TP53MGLLCYP1A2CYP2A6BCL2 | |
| Ethyne SCHEMBL28293458 | 0.74 | TP53 (0.55) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| Methyl Alcohol SCHEMBL28745884 | 0.74 | TP53 (0.55) | TP53MGLLCYP1A2CYP2A6BCL2 | |
| SCHEMBL12345521 | 0.73 | TP53 (0.48) | TP53MGLLNISCHCYP1A2CYP2A6 | |
| SCHEMBL18824415 | 0.72 | NISCH (0.50) | BCHEACHETP53MGLLNISCH |
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-9328200-B2 | Branched polymeric quaternary ammonium compounds and their uses | ULTRASCI DISCOVERY LLP (US) | 2016-05-03 | — | — | US | disclosed |
| US-20160009861-A1 | Branched Polymeric Quaternary Ammonium Compounds and Their Uses | CHEN HWANG-HSING (US) | 2016-01-14 | — | — | 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-20160009861-A1 | Branched Polymeric Quaternary Ammonium Compounds and Their Uses | BCAT2, UACA, BCAT1 | BCHE 95/4885ACHE 927/4885TP53 1375/4885 |
“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.