Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.75 |
| ▸ | CASP5 | P51878 | 8/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | CASP4 | P49662 | 7/20 | 0.58 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1123752 | 0.82 | CASP1 (0.78) | CASP1CASP5GAACASP4NPC1 | |
| SCHEMBL10854498 | 0.81 | HRH4 (0.59) | CASP1CASP5GAACASP4HRH4 | |
| SCHEMBL3991347 | 0.78 | CASP1 (0.67) | CASP1CASP5GAACASP4NPC1 | |
| SCHEMBL2804769 | 0.78 | CASP1 (0.59) | CASP1CASP5GAAHRH4NPC1 | |
| SCHEMBL11384876 | 0.77 | CASP1 (0.66) | CASP1CASP5GAANPC1RAB9A | |
| SCHEMBL18098559 | 0.77 | CASP1 (0.66) | CASP1CASP5GAACASP4NPC1 | |
| SCHEMBL477050 | 0.75 | SIGMAR1 (0.55) | CASP1CASP5GAANPC1RAB9A | |
| SCHEMBL6685464 | 0.75 | RAB9A (0.59) | GAAHRH4NPC1RAB9ALMNA | |
| SCHEMBL3994777 | 0.75 | PIK3CA (0.72) | CASP1CASP5 | |
| SCHEMBL1083795 | 0.75 | HTR3A (0.68) | CASP1CASP5GAAHRH4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4621082-A | Pyridopyrimidines, pharmaceutical compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-04 | — | — | US | disclosed |