Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAP2 | P11137 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1109099 | 0.87 | SLC6A2 (0.48) | SLC6A4SLC6A2GRIN2BALPLMRGPRX4 | |
| SCHEMBL10560131 | 0.85 | TRPV1 (0.43) | EPHX1GRIN2BNOTUMPYGLMAPT | |
| SCHEMBL4283750 | 0.85 | TSHR (0.53) | NOTUMMRGPRX4PYGLMAPT | |
| SCHEMBL11143580 | 0.85 | NOTUM (0.43) | EPHX1GRIN2BNOTUMPYGLMAPT | |
| SCHEMBL20702550 | 0.83 | NOTUM (0.42) | EPHX1GRIN2BNOTUMMRGPRX4PYGL | |
| SCHEMBL12293462 | 0.83 | GRIN2B (0.42) | EPHX1GRIN2BALPLNOTUMPYGL | |
| SCHEMBL12970641 | 0.81 | SLC6A2 (0.46) | SLC6A4SLC6A2ALPLPARP1MAPK1 | |
| SCHEMBL3641624 | 0.81 | APP (0.50) | SLC6A4SLC6A2PARP1MAPK1 | |
| SCHEMBL3784022 | 0.81 | SLC6A2 (0.46) | SLC6A4SLC6A2ALPLPARP1MAPK1 | |
| SCHEMBL30540337 | 0.81 | SLC6A2 (0.46) | SLC6A4SLC6A2ALPLPARP1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681215-B1 | SERINE/THREONINE KINASE INHIBITORS | ARRAY BIOPHARMA INC (US) | 2015-04-22 | — | — | EP | claimed |
| EP-2491022-B1 | DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| US-8445674-B2 | Heterocyclyl compounds | Hoffmann-La Roche Inc (US) | 2013-05-21 | — | — | US | disclosed |