Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8669857 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CTSBCA1CA2 | |
| SCHEMBL8671076 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CTSBCA1CA2 | |
| Hydrochloric Acid SCHEMBL8668055 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CTSBCA1CA2 | |
| SCHEMBL8669254 | 0.80 | THRA (0.38) | ALDH1A1CYP3A4CTSB | |
| Hydrochloric Acid SCHEMBL8704912 | 0.79 | CA1 (0.33) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL8675657 | 0.78 | FYN (0.37) | ALDH1A1CYP3A4CTSBMAPTFYN | |
| SCHEMBL8668680 | 0.77 | FYN (0.39) | ALDH1A1CYP3A4CTSBMAPTFYN | |
| SCHEMBL8668636 | 0.76 | CA1 (0.44) | ALDH1A1CYP3A4CA1CA2CA12 | |
| SCHEMBL8702726 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4 | |
| SCHEMBL8702721 | 0.75 | ALDH1A1 (0.32) | ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |