Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2589522 | 0.76 | EPHX2 (0.56) | KMT2AMEN1MAPTL3MBTL1KDM6B | |
| SCHEMBL2585707 | 0.75 | RAB9A (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL3054586 | 0.75 | RCE1 (0.60) | PIN1RCE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2585532 | 0.72 | HIF1A (0.52) | CYP1A2CYP2D6CYP2C19KMT2AROCK1 | |
| SCHEMBL28072874 | 0.72 | POLB (0.56) | PIN1RCE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15111089 | 0.70 | RCE1 (0.68) | RCE1KMT2AMEN1LIMK1LIMK2 | |
| SCHEMBL2586922 | 0.68 | HIF1A (0.72) | ROCK1NPC1RAB9A | |
| SCHEMBL7228409 | 0.68 | MEN1 (0.61) | RCE1KMT2AMEN1LIMK1LIMK2 | |
| SCHEMBL7553695 | 0.68 | KDM4E (0.57) | PIN1RCE1KMT2AMEN1C5AR1 | |
| SCHEMBL4062630 | 0.67 | PIN1 (0.49) | PIN1RCE1KMT2AMEN1LIMK1 |
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-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |