Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649754 | 0.96 | MT-CO2 (0.43) | MT-CO2CYP3A4PTGIRGAAMLYCD | |
| SCHEMBL3657533 | 0.91 | MT-CO2 (0.46) | MT-CO2CYP3A4GAAMLYCDBCL2A1 | |
| SCHEMBL3653869 | 0.88 | MT-CO2 (0.42) | MT-CO2CYP3A4PTGIRGAAF2 | |
| SCHEMBL3660212 | 0.87 | GAA (0.46) | MT-CO2CYP3A4GAAMEN1KMT2A | |
| SCHEMBL3653328 | 0.86 | MT-CO2 (0.45) | MT-CO2CYP3A4PTGIRGAABCL2A1 | |
| SCHEMBL1241389 | 0.86 | LSS (0.40) | CYP3A4GAAMLYCDMEN1KMT2A | |
| SCHEMBL5805153 | 0.85 | SMN1; SMN2 (0.49) | CYP3A4MEN1KMT2AF2 | |
| SCHEMBL3653260 | 0.84 | MT-CO2 (0.40) | MT-CO2GAAF2 | |
| SCHEMBL3657992 | 0.83 | MT-CO2 (0.39) | MT-CO2GAAF2 | |
| SCHEMBL1570978 | 0.83 | MT-CO2 (0.47) | MT-CO2CYP3A4GAABCL2A1MEN1 |
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-2201012-A1 | PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS | AstraZeneca AB (SE) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009047563-A1 | PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS | ASTRAZENECA AB (SE) | 2009-04-16 | — | — | WO | disclosed |