Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | WDR5 | P61964 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27851003 | 0.87 | KDM4E (0.61) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| Tert-Butyl Formate SCHEMBL27868028 | 0.83 | MAPT (0.54) | KDM4ESMN1; SMN2ALDH1A1MAPTHPGD | |
| Tert-Butyl Formate SCHEMBL27908417 | 0.81 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7662821 | 0.78 | NPC1 (0.53) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| Tert-Butyl Formate SCHEMBL27751353 | 0.78 | KDM4E (0.42) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL103892 | 0.77 | SMN1; SMN2 (0.47) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL1481753 | 0.76 | DDR1 (0.52) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL14688149 | 0.76 | HTR3E (0.58) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL16869527 | 0.74 | KMT2A (0.58) | KDM4ENPC1RAB9ASMN1; SMN2NPSR1 | |
| Tert-Butyl Formate SCHEMBL27751337 | 0.74 | ALDH1A1 (0.60) | KDM4ENPC1SMN1; SMN2ALDH1A1MAPT |
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-102438991-A | Carbinol compounds having a heterocyclic linker | KOWA CO | 2012-05-02 | — | — | CN | disclosed |