Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 4/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19984973 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2C9 | |
| SCHEMBL19984789 | 0.75 | APLNR (0.54) | APLNRPARP1KMT2AALDH1A1HPGD | |
| SCHEMBL19984976 | 0.73 | APLNR (0.54) | APLNRPARP1KMT2AHPGDMAPK1 | |
| SCHEMBL19984815 | 0.70 | KMT2A (0.48) | APLNRKMT2AALDH1A1NPC1THRB | |
| SCHEMBL16495669 | 0.69 | WNT3A (0.46) | APLNRKMT2AALDH1A1 | |
| SCHEMBL3828361 | 0.67 | PTK2 (0.57) | KMT2AALDH1A1NPC1THRBHPGD | |
| Trifluoroacetic Acid SCHEMBL3822807 | 0.67 | KMT2A (0.49) | KMT2AALDH1A1NPC1THRBHPGD | |
| SCHEMBL5122070 | 0.67 | NEK1 (0.45) | PARP1 | |
| SCHEMBL31060717 | 0.67 | KMT2A (0.54) | KMT2AALDH1A1NPC1THRBHPGD | |
| SCHEMBL14289643 | 0.66 | JAK2 (0.41) | ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018051255-A1 | CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-22 | — | — | WO | disclosed |