Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897285 | 0.86 | NOTUM (0.42) | NOTUMDRD2DRD4MAPTRECQL | |
| SCHEMBL19003592 | 0.81 | MAPT (0.38) | NOTUMDRD2DRD4MAPTRECQL | |
| SCHEMBL18948534 | 0.78 | NOTUM (0.42) | NOTUMDRD2DRD4MAPTALDH1A1 | |
| SCHEMBL15857993 | 0.76 | NOTUM (0.45) | NOTUMDRD2DRD4MAPTALDH1A1 | |
| SCHEMBL17897293 | 0.72 | MAPT (0.40) | NOTUMDRD2DRD4MAPTRECQL | |
| SCHEMBL17897235 | 0.70 | MAPT (0.43) | NOTUMMAPTRECQLALDH1A1LMNA | |
| SCHEMBL15858970 | 0.70 | MAPT (0.43) | NOTUMMAPTRECQLALDH1A1LMNA | |
| SCHEMBL17897303 | 0.70 | MAPT (0.40) | NOTUMDRD2DRD4MAPTRECQL | |
| SCHEMBL19368254 | 0.69 | NOTUM (0.51) | NOTUMDRD2DRD4MAPTRECQL | |
| SCHEMBL19003696 | 0.69 | MAPT (0.42) | NOTUMMAPTRECQLALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |