Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7995783 | 0.85 | ESR1 (0.52) | CYP19A1ESR1PDCD1ESR2CD274 | |
| SCHEMBL724559 | 0.85 | CYP3A4 (0.52) | CYP19A1CYP3A4CYP2C19ESR1PDCD1 | |
| SCHEMBL146509 | 0.83 | ESR1 (0.55) | CYP19A1ESR1PDCD1ESR2CD274 | |
| SCHEMBL10460892 | 0.81 | CYP19A1 (0.60) | CYP19A1CYP3A4CYP2C19GAACHRNA7 | |
| SCHEMBL29173259 | 0.81 | CYP19A1 (0.48) | CYP19A1CYP3A4CYP2C19ESR1PDCD1 | |
| Ammonia Solution, Strong SCHEMBL6000116 | 0.80 | KMT2A (0.43) | CYP19A1CYP3A4CYP2C19ESR1PDCD1 | |
| Ammonia Solution, Strong SCHEMBL6000172 | 0.80 | MAPKAPK2 (0.44) | CYP19A1CYP3A4CYP2C19ESR1PDCD1 | |
| Ammonia Solution, Strong SCHEMBL6000334 | 0.79 | SLC6A2 (0.62) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL5998629 | 0.78 | TBXAS1 (0.52) | CYP19A1GAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12204722 | 0.77 | CYP19A1 (0.68) | CYP19A1CYP3A4CYP2C19ESR1PDCD1 |
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-20060058357-A1 | Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke | K AND K BIOSCIENCE, INC. (US) | 2006-03-16 | — | — | 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-20060058357-A1 | Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke | SIGMAR1, GRM1, GRIN2C | CYP19A1 4624/4885CYP3A4 2214/4885CYP2C19 1563/4885 |
“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.