Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11650293 | 0.98 | CYP17A1 (0.59) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL7995827 | 0.87 | CA1 (0.58) | NPC1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL834546 | 0.85 | CA1 (0.61) | NPC1CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL10460417 | 0.83 | CYP17A1 (0.61) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL6000029 | 0.80 | TBXAS1 (0.49) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL23882639 | 0.80 | CYP17A1 (0.57) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 | |
| SCHEMBL27449121 | 0.80 | CYP17A1 (0.57) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 | |
| SCHEMBL23882638 | 0.80 | CYP17A1 (0.57) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 | |
| SCHEMBL724559 | 0.80 | CYP3A4 (0.52) | CYP17A1SMN1; SMN2CYP2C19CYP3A4CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL6000107 | 0.79 | CYP17A1 (0.87) | CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9 |
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 | CYP17A1 4384/4885SMN1; SMN2 2424/4885NPC1 2945/4885 |
“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.