Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 12/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | CCR2 | P41597 | 1/20 | 0.56 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28208297 | 1.00 | SIGMAR1 (0.56) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL12015808 | 0.86 | SIGMAR1 (0.59) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Tert-Butyl Formate SCHEMBL28277618 | 0.85 | CXCR4 (0.43) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Tert-Butyl Formate SCHEMBL28277617 | 0.85 | CXCR4 (0.43) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| Hydrochloric Acid SCHEMBL29206910 | 0.85 | CXCR4 (0.60) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL1935806 | 0.84 | HRH3 (0.67) | HRH3MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL14847024 | 0.84 | HRH3 (0.67) | HRH3MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL12017823 | 0.82 | SIGMAR1 (0.54) | SIGMAR1CXCR4HRH3MEN1CHRM2 | |
| SCHEMBL24307315 | 0.81 | ALDH1A1 (0.61) | HRH3MEN1KMT2AHTR6ALDH1A1 | |
| SCHEMBL21378560 | 0.81 | LMNA (0.64) | SIGMAR1HRH3ALDH1A1 |
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-107849059-A | 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 | 伊莱利利公司 | 2018-03-27 | — | — | CN | disclosed |