Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | LDHB | P07195 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 11/20 | 0.40 |
| ▸ | BCDIN3D | Q7Z5W3 | 2/20 | 0.36 |
| ▸ | IDH2 | P48735 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3018852 | 0.73 | CRHR1 (0.38) | LDHALDHBADORA3ADORA1ATR | |
| SCHEMBL15204665 | 0.73 | ADORA2A (0.42) | IRAK4ATR | |
| SCHEMBL27225176 | 0.72 | ADORA3 (0.41) | IDH1IDH2ADORA3ADORA1 | |
| SCHEMBL24455331 | 0.72 | ADORA3 (0.41) | LDHALDHBIDH1BCDIN3DIDH2 | |
| SCHEMBL7322176 | 0.71 | ADORA2A (0.37) | ATR | |
| SCHEMBL30588876 | 0.71 | ADORA2A (0.37) | ATR | |
| SCHEMBL20607670 | 0.71 | TLR8 (0.47) | LDHALDHBRPS6KB1ATR | |
| SCHEMBL21388100 | 0.71 | ADORA3 (0.35) | LDHALDHBADORA3ADORA1ATR | |
| SCHEMBL20607669 | 0.70 | CDK1 (0.35) | ATR | |
| SCHEMBL481774 | 0.70 | LDHB (0.57) | LDHALDHB |
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-3405470-B1 | PYRAZINEDIHYDROPYRIMIDINONE OR PYRIDAZINEDIHYDROPYRIMIDINONE COMPOUNDS AS MODULATORS OF ROR GAMMA | BOEHRINGER INGELHEIM INT (DE) | 2020-07-15 | — | — | EP | disclosed |
| WO-2017127375-A1 | PYRAZINEDIHYDROPYRIMIDINONE OR PYRIDAZINEDIHYDROPYRIMIDINONE COMPOUNDS AS MODULATORS OF ROR GAMMA | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-07-27 | — | — | WO | disclosed |