Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 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 | |
|---|---|---|---|---|
| SCHEMBL21518024 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTTSMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL21541346 | 0.83 | RORC (0.50) | ALDH1A1HTTSMN1; SMN2CYP2D6HRH3 | |
| SCHEMBL18459272 | 0.83 | RORC (0.50) | ALDH1A1HTTSMN1; SMN2CYP2D6HRH3 | |
| SCHEMBL19179108 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HTTSMN1; SMN2FAAHHRH3 | |
| SCHEMBL18426519 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HTTSMN1; SMN2FAAHHRH3 | |
| SCHEMBL20101853 | 0.76 | CYP2D6 (0.34) | ALDH1A1HTTSMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL21358346 | 0.76 | CYP3A4 (0.58) | ALDH1A1CYP2D6CYP3A4TSHRMEN1 | |
| SCHEMBL14846936 | 0.75 | ADRB2 (0.41) | ALDH1A1HTTSMN1; SMN2TSHRHRH3 | |
| SCHEMBL22158867 | 0.73 | HRH3 (0.68) | ALDH1A1HTTSMN1; SMN2CYP2D6FAAH | |
| SCHEMBL25301235 | 0.71 | USP2 (0.43) | ALDH1A1HTTSMN1; SMN2CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3328866-B1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2019-10-30 | — | — | EP | disclosed |