Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.40 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 4/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8083683 | 0.92 | NPC1 (0.42) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8092270 | 0.88 | NPC1 (0.43) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8091838 | 0.85 | KMT2A (0.43) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8099638 | 0.84 | FLT3 (0.43) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8084738 | 0.82 | PIK3CA (0.40) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8098775 | 0.82 | CA1 (0.43) | MEN1KMT2ACNR1KDM4EMAPT | |
| SCHEMBL8098814 | 0.81 | EPHX1 (0.47) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3925969 | 0.81 | PIK3CA (0.51) | MTORPIK3CAPIK3R1PIK3CG | |
| SCHEMBL8096186 | 0.81 | MAPT (0.41) | KDM4EMAPTPIK3CAKDRLMNA | |
| SCHEMBL8092289 | 0.81 | CA1 (0.41) | CNR1KDM4EMAPTMTORPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |