Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29001248 | 0.81 | NPC1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL6893551 | 0.79 | TSHR (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL3650899 | 0.78 | MT-CO2 (0.44) | GAACHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14830665 | 0.77 | RAB9A (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11430998 | 0.76 | TSHR (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL5114303 | 0.74 | LMNA (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL3649754 | 0.74 | MT-CO2 (0.43) | GAACHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4920502 | 0.74 | NPC1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL21382246 | 0.73 | MAPK1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL27590825 | 0.73 | LSS (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E |
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 |