Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4995341 | 1.00 | HTR2C (0.36) | HTR2CNR1H2NR1H3FAAHMGLL | |
| Hydrochloric Acid SCHEMBL4995346 | 0.99 | HTR2C (0.36) | HTR2CNR1H2NR1H3FAAHMGLL | |
| Hydrochloric Acid SCHEMBL4995321 | 0.99 | HTR2C (0.36) | HTR2CNR1H2NR1H3FAAHMGLL | |
| SCHEMBL4247929 | 0.83 | GAA (0.44) | — | |
| Hydrochloric Acid SCHEMBL4247932 | 0.82 | GAA (0.43) | — | |
| Hydrochloric Acid SCHEMBL4247924 | 0.82 | GAA (0.43) | — | |
| SCHEMBL4993633 | 0.79 | GAA (0.36) | HTR2CNR1H2NR1H3 | |
| SCHEMBL4993646 | 0.79 | GAA (0.36) | HTR2CNR1H2NR1H3 | |
| SCHEMBL4992925 | 0.78 | NR1H2 (0.32) | NR1H2NR1H3FAAHMGLL | |
| SCHEMBL8209097 | 0.78 | NR1H2 (0.32) | NR1H2NR1H3FAAHMGLL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |