Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669474 | 0.84 | CA1 (0.41) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8668810 | 0.83 | CA1 (0.51) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8669254 | 0.77 | THRA (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL8669853 | 0.76 | ALDH1A1 (0.39) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8671076 | 0.76 | ALDH1A1 (0.39) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8669857 | 0.76 | ALDH1A1 (0.39) | CA1CA2CA12CA7CA14 | |
| Hydrochloric Acid SCHEMBL8668055 | 0.75 | ALDH1A1 (0.38) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8702726 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4 | |
| SCHEMBL8702721 | 0.72 | ALDH1A1 (0.32) | ALDH1A1CYP3A4 | |
| SCHEMBL6584976 | 0.71 | CA1 (0.50) | CA1CA2CA12CA7CA14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996017832-A1 | NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES | WARNER-LAMBERT COMPANY (US) | 1996-06-13 | — | — | WO | claimed |
| US-5721234-A | TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE | WARNER-LAMBERT COMPANY (US) | 1998-02-24 | — | — | US | disclosed |
| WO-1998005651-A1 | NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES | WARNER-LAMBERT COMPANY (US) | 1998-02-12 | — | — | WO | disclosed |
| WO-1996017832-A1 | NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES | WARNER-LAMBERT COMPANY (US) | 1996-06-13 | — | — | WO | disclosed |