Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SYK | P43405 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 4/20 | 0.49 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 4/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258386 | 0.80 | KDR (0.58) | NPC1RAB9ASYKTNIKIGF1R | |
| SCHEMBL28243562 | 0.76 | NPC1 (0.66) | NPC1RAB9ACLK1TNIKIGF1R | |
| SCHEMBL6319822 | 0.73 | IGF1R (0.50) | NPC1RAB9ASYKCLK1IGF1R | |
| SCHEMBL7253189 | 0.73 | MAPT (0.44) | NPC1RAB9ASYKALOX15HTT | |
| SCHEMBL31054258 | 0.73 | NPC1 (0.77) | NPC1RAB9ATNIKP2RY14MEN1 | |
| SCHEMBL7253637 | 0.72 | KDR (0.58) | NPC1RAB9ASYKTNIKIGF1R | |
| SCHEMBL29120695 | 0.72 | NPC1 (0.61) | NPC1RAB9ACLK1TNIKIGF1R | |
| SCHEMBL7258709 | 0.70 | KDR (0.54) | NPC1SYKIGF1RKDRCDK1 | |
| SCHEMBL21645794 | 0.70 | CGAS (0.54) | NPC1RAB9ASYKTNIKIGF1R | |
| SCHEMBL30503668 | 0.70 | NPC1 (0.71) | NPC1RAB9ATNIKHTTP2RY14 |
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-2003030909-A1 | 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |