Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 5/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL2883895 | 0.84 | SLC18A3 (0.61) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL13068161 | 0.82 | NOTUM (0.54) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL11270522 | 0.80 | AKT1 (0.55) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL6026997 | 0.78 | NPY5R (0.58) | — | |
| Hydrochloric Acid SCHEMBL11096203 | 0.78 | AKT1 (0.54) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL15007552 | 0.78 | AKT1 (0.49) | AKT1SIGMAR1NOTUMOPRM1P2RY1 | |
| SCHEMBL13209364 | 0.78 | SLC18A3 (0.45) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL13518854 | 0.78 | AKT1 (0.47) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL13227804 | 0.78 | HDAC1 (0.56) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 | |
| SCHEMBL11089304 | 0.78 | AKT1 (0.53) | AKT1SLC18A3HDAC1HDAC6SIGMAR1 |
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-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |