Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.32 |
| ▸ | NNMT | P40261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.30 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL4261549 | 0.80 | — | — | |
| SCHEMBL3197756 | 0.80 | CCR1 (0.36) | — | |
| SCHEMBL3211526 | 0.77 | PARP1 (0.35) | PARP1PARP2 | |
| SCHEMBL3315095 | 0.75 | HPGD (0.37) | HRH3POLBPARP1PARP2 | |
| SCHEMBL2791847 | 0.75 | NNMT (0.49) | NNMTPOLBCA1CA2PARP1 | |
| SCHEMBL2794698 | 0.74 | IKBKB (0.37) | NNMTTSHRCA1CA2 | |
| SCHEMBL3114993 | 0.72 | PARP1 (0.43) | NNMTPOLBPARP1 | |
| SCHEMBL2791507 | 0.72 | HCAR3 (0.44) | HSD17B10 | |
| SCHEMBL3002690 | 0.71 | PIM1 (0.39) | NNMTLMNAPOLBTSHRCASP1 | |
| SCHEMBL6309563 | 0.71 | PARP10 (0.41) | NNMTTSHRPARP10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |