Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21384000 | 0.79 | FEN1 (0.44) | HRH4HTR3AFEN1LTA4HHRH3 | |
| SCHEMBL5036361 | 0.78 | HTR3A (0.38) | HRH4HTR3AFEN1LTA4HAKT1 | |
| Hydrochloric Acid SCHEMBL21384130 | 0.78 | FEN1 (0.43) | HRH4HTR3AFEN1LTA4HHRH3 | |
| SCHEMBL1318801 | 0.74 | CDK2 (0.43) | CDK2 | |
| SCHEMBL20671956 | 0.72 | CDK2 (0.40) | HRH4HTR3AFEN1CDK2NOS1 | |
| SCHEMBL18616362 | 0.72 | CDK2 (0.40) | HRH4HTR3AFEN1CDK2NOS1 | |
| SCHEMBL2480802 | 0.72 | CEL (0.42) | HRH4HTR3AFEN1CDK2CCNA2 | |
| SCHEMBL21241330 | 0.72 | PDE9A (0.41) | HRH4HTR3ALTA4HHRH3 | |
| SCHEMBL3155441 | 0.71 | NFE2L2 (0.50) | LTA4HHRH3NFE2L2 | |
| SCHEMBL17247755 | 0.71 | CYP11B2 (0.40) | HRH4HTR3AFEN1LTA4HCDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1207733-A | Novel piperazinylalkylthiophrimidine derivs., pharmaceutical compositions contg. same and process for preparation of such compounds | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1999-02-10 | — | — | CN | disclosed |