Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL22591171 | 0.82 | EPHX2 (0.42) | EPHX2NR1H4RAB9ASMN1; SMN2HDAC6 | |
| SCHEMBL20270365 | 0.80 | CNR1 (0.46) | ALDH1A1HDAC6HDAC3HDAC1HDAC4 | |
| SCHEMBL20270367 | 0.80 | CNR1 (0.46) | ALDH1A1HDAC6HDAC3HDAC1HDAC4 | |
| SCHEMBL20289367 | 0.80 | HPGD (0.42) | EPHX2NR1H4RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL22591167 | 0.76 | EPHX2 (0.48) | EPHX2NR1H4RAB9ANPC1ALDH1A1 | |
| SCHEMBL506516 | 0.74 | HDAC3 (0.60) | EPHX2NR1H4RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL20289383 | 0.73 | SMN1; SMN2 (0.46) | RAB9ASMN1; SMN2NPC1ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL23235884 | 0.73 | CA1 (0.42) | EPHX2NR1H4RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL8072288 | 0.73 | LOXL2 (0.53) | EPHX2NR1H4SMN1; SMN2ALDH1A1HDAC6 | |
| SCHEMBL22591172 | 0.72 | EPHX2 (0.41) | EPHX2NR1H4RAB9ASMN1; SMN2HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3763717-B1 | PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | LILLY CO ELI (US) | 2023-03-08 | — | — | EP | disclosed |
| EP-3763717-A1 | PYRIDO[4,3-D][1,3]OXAZIN-2-ONE AND PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | ELI LILLY AND CO. (US) | 2021-01-13 | — | — | EP | disclosed |
| EP-3555105-B1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | LILLY CO ELI (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2018111707-A1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2018-06-21 | — | — | WO | disclosed |