Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.39 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7682786 | 0.85 | NQO1 (0.50) | LTA4HCA12CA1CA7CA9 | |
| SCHEMBL2212307 | 0.82 | LTA4H (0.46) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL17432926 | 0.81 | MRGPRX4 (0.47) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL5248264 | 0.79 | LTA4H (0.43) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL4738402 | 0.79 | LTA4H (0.37) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL28767196 | 0.78 | MAPT (0.51) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL17433278 | 0.78 | GPR84 (0.50) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL9931761 | 0.78 | NSD2 (0.45) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL19059333 | 0.78 | CA12 (0.45) | MAOBLTA4HCA12CA1CA2 | |
| SCHEMBL25797422 | 0.78 | LTA4H (0.50) | MAOBLTA4HCA12CA1CA2 |
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-6448259-B1 | CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY | NEUROGEN CORPORATION | 2002-09-10 | — | — | US | claimed |