Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | APOB | P04114 | 5/20 | 0.56 |
| ▸ | MTTP | P55157 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3805053 | 0.87 | CA1 (0.56) | CA1CA2CA12CA7CA14 | |
| SCHEMBL8006294 | 0.87 | CA1 (0.56) | CA1CA2CA12CA7CA14 | |
| SCHEMBL2246315 | 0.83 | CYP1A2 (0.54) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL28744228 | 0.82 | NPC1 (0.52) | CA1CA2CA12CA7CA14 | |
| SCHEMBL10405252 | 0.82 | CA1 (0.61) | CA1CA2CA12CA7CA14 | |
| SCHEMBL7763156 | 0.81 | APOB (0.62) | CA1CA2CA12CA7CA14 | |
| SCHEMBL9505624 | 0.80 | CA1 (0.63) | CA1CA2CA12CA7CA14 | |
| SCHEMBL23519580 | 0.79 | HTR2C (0.50) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL2249768 | 0.79 | HTR2C (0.50) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL25086307 | 0.79 | HTR2C (0.50) | CYP1A2ADRA2AMAOASLC6A2HTR2C |
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 |