Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.45 |
| ▸ | SMURF1 | Q9HCE7 | 2/20 | 0.44 |
| ▸ | MET | P08581 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.41 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30038081 | 0.84 | HTT (0.65) | PTGS2NPSR1MAPTTP53ALOX12 | |
| SCHEMBL17324829 | 0.84 | MAPT (0.64) | PTGS2NPSR1MAPTHTTSMURF1 | |
| SCHEMBL2219241 | 0.84 | HTT (0.65) | PTGS2NPSR1MAPTTP53ALOX12 | |
| SCHEMBL30038295 | 0.84 | NPC1 (0.52) | PTGS2MAPTTP53ALDH1A1 | |
| SCHEMBL20162992 | 0.84 | NPC1 (0.52) | PTGS2MAPTTP53ALDH1A1 | |
| SCHEMBL25767433 | 0.84 | TP53 (0.67) | NPSR1MAPTTP53ALOX12HTT | |
| SCHEMBL30153810 | 0.83 | MAPT (0.49) | PTGS2NPSR1MAPTTP53ALOX12 | |
| SCHEMBL19902387 | 0.81 | NR1I2 (0.52) | PTGS2MAPTTP53ALOX12HTT | |
| SCHEMBL30036841 | 0.81 | GAA (0.51) | NPSR1MAPTTP53ALOX12HTT | |
| SCHEMBL20162908 | 0.81 | GAA (0.51) | NPSR1MAPTTP53ALOX12HTT |
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-9926282-B2 | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-27 | — | — | US | disclosed |