Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | GAA | P10253 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.64 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SELL | P14151 | 1/20 | 0.47 |
| ▸ | SELP | P16109 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1798363 | 0.87 | GAA (0.64) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL31260444 | 0.86 | ALDH1A1 (0.51) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL22108692 | 0.84 | ALDH1A1 (0.50) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL31056719 | 0.83 | HDAC8 (0.54) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL31167148 | 0.82 | ALDH1A1 (0.48) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL14447279 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1PTGS1L3MBTL1 | |
| SCHEMBL153055 | 0.81 | GAA (0.74) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL30049382 | 0.81 | GAA (0.74) | ALDH1A1GAATSHRTDP1NFKB1 | |
| SCHEMBL9714792 | 0.80 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1L3MBTL1KDM4E | |
| SCHEMBL27952523 | 0.80 | GAA (0.72) | ALDH1A1GAATSHRTDP1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |