Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2558935 | 0.88 | PTGDR2 (0.56) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL15331806 | 0.86 | PTGDR2 (0.57) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL29955221 | 0.84 | PTGDR2 (0.62) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL29952098 | 0.83 | SRC (0.50) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL29952251 | 0.82 | ALDH1A1 (0.43) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL15332808 | 0.82 | PTGDR2 (0.59) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL2561656 | 0.82 | GAA (0.47) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2559585 | 0.82 | PTGDR2 (0.61) | PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2109475 | 0.81 | PTGDR2 (0.66) | PTGDR2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL29953783 | 0.81 | RAB9A (0.64) | PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |