Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 SCHEMBL28311458 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28312375 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279085 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL28311543 | 0.87 | SLC6A4 (0.43) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL28311547 | 0.87 | SLC6A4 (0.43) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL19700747 | 0.87 | SLC6A4 (0.43) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279072 | 0.86 | SLC6A2 (0.41) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279069 | 0.86 | SLC6A2 (0.41) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28277617 | 0.76 | CXCR4 (0.43) | CHRM2CHRM1 | |
| Tert-Butyl Formate SCHEMBL28277618 | 0.76 | CXCR4 (0.43) | CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072867-A | 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds as inhibitors of mutant IDH1 and IDH2 | 伊莱利利公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-109311863-A | Saltant type IDH1 inhibitor | 伊莱利利公司 | 2019-02-05 | — | — | CN | disclosed |