Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.76 |
| ▸ | MEN1 | O00255 | 3/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | RECQL | P46063 | 1/20 | 0.76 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.60 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.60 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.60 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | GOT1 | P17174 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL32660753 | 1.00 | ALDH1A1 (0.76) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL1570715 | 0.95 | ALDH1A1 (0.77) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL28273734 | 0.89 | MEN1 (0.88) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL11641875 | 0.86 | NPSR1 (1.00) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL12476809 | 0.85 | MEN1 (0.97) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL543268 | 0.84 | NPSR1 (0.73) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL22217664 | 0.84 | MEN1 (0.78) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL11197051 | 0.82 | ALDH1A1 (0.76) | ALDH1A1NPSR1MEN1KMT2ARECQL | |
| SCHEMBL654102 | 0.82 | ALDH1A1 (0.76) | ALDH1A1KMT2APOLBMAPTRAB9A | |
| SCHEMBL4308463 | 0.82 | KMT2A (0.76) | ALDH1A1NPSR1MEN1KMT2ARECQL |
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-3331864-A2 | 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Chong Kun Dang Pharmaceutical Corp. (KR) | 2018-06-13 | — | — | EP | disclosed |
| US-7612075-B2 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2009-11-03 | — | — | US | disclosed |