Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL23178769 | 0.88 | NPC1 (0.43) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178813 | 0.87 | NPC1 (0.43) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178759 | 0.85 | NPC1 (0.40) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178760 | 0.85 | NPC1 (0.39) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178764 | 0.85 | NPC1 (0.46) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178762 | 0.84 | ALDH1A1 (0.43) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL24274927 | 0.84 | ENPP3 (0.39) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178757 | 0.83 | NPC1 (0.39) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23178767 | 0.83 | CA12 (0.39) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL24274769 | 0.83 | TAAR1 (0.40) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3971171-A1 | OXAZOLINE COMPOUND, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF | Nankai University (CN) | 2022-03-23 | — | — | EP | disclosed |
| WO-2021057852-A1 | OXAZOLINE COMPOUND, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF | 南开大学 | 2021-04-01 | — | — | WO | disclosed |