Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 3/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | PREP | P48147 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL5258735 | 1.00 | HPGDS (0.57) | HPGDSABCB1MGAMBCAT1TNKS | |
| SCHEMBL5258295 | 0.84 | HTR3A (0.62) | BCAT1CHRNA7ACKR3 | |
| SCHEMBL6829588 | 0.84 | HTR3A (0.62) | BCAT1CHRNA7ACKR3 | |
| SCHEMBL531094 | 0.82 | HPGDS (0.72) | HPGDSMGAMTNKSCXCR4DPP4 | |
| SCHEMBL5257713 | 0.81 | HPGDS (0.46) | HPGDSABCB1CXCR4DPP4DPP7 | |
| SCHEMBL6838493 | 0.81 | HPGDS (0.46) | HPGDSABCB1CXCR4DPP4DPP7 | |
| SCHEMBL5260072 | 0.80 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL5256081 | 0.80 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL28746033 | 0.80 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL1756678 | 0.78 | SSTR3 (0.52) | — |
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-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |