Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1263673 | 0.81 | MAPK1 (0.53) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL4934505 | 0.79 | TSHR (0.52) | SMN1; SMN2MAPK1RAB9ANPC1TSHR | |
| SCHEMBL27319619 | 0.78 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL11787337 | 0.78 | NPC1 (0.70) | SMN1; SMN2DPP4ALDH1A1MAPK1RAB9A | |
| SCHEMBL28054609 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL4937750 | 0.76 | PIK3CA (0.59) | ALDH1A1MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL4603940 | 0.76 | PIK3CA (0.59) | ALDH1A1MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL30619358 | 0.75 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL248354 | 0.75 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL1442621 | 0.75 | MEN1 (0.53) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1 |
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-1773824-A1 | 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006005915-A1 | 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2006-01-19 | — | — | WO | disclosed |