Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14969412 | 0.87 | NR1D1 (0.36) | ALDH1A1POLBSMN1; SMN2MITFMAPT | |
| SCHEMBL14971127 | 0.84 | ALDH1A1 (0.34) | ALDH1A1POLBKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL14965670 | 0.81 | MITF (0.35) | ALDH1A1POLBTSHRLMNAMITF | |
| SCHEMBL14965901 | 0.81 | MITF (0.37) | ALDH1A1POLBLMNAMITFPKM | |
| SCHEMBL14966100 | 0.80 | KCNH2 (0.40) | ALDH1A1MITF | |
| SCHEMBL14965763 | 0.80 | MITF (0.34) | LMNAMITFMAPTRAB9ANPC1 | |
| SCHEMBL14965596 | 0.79 | MITF (0.38) | ALDH1A1KDM4ELMNAMITFKMT2A | |
| SCHEMBL14965850 | 0.79 | MITF (0.35) | POLBSMN1; SMN2LMNAMITFMAPT | |
| SCHEMBL14966156 | 0.78 | KCNH2 (0.37) | — | |
| SCHEMBL14969684 | 0.78 | NR1D1 (0.36) | ALDH1A1LMNAMITF |
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-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |