Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28056570 | 0.88 | NPC1 (0.45) | ALDH1A1TDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7631721 | 0.80 | ALDH1A1 (0.58) | ALDH1A1EGLN1TDP1SLC6A2SLC6A3 | |
| SCHEMBL29067021 | 0.76 | ALDH1A1 (0.75) | ALDH1A1TDP1SLC6A2SLC6A3KMT2A | |
| SCHEMBL25976217 | 0.76 | ALDH1A1 (0.47) | ALDH1A1EGLN1TDP1SLC6A2SLC6A3 | |
| SCHEMBL9130046 | 0.75 | TDP1 (0.58) | ALDH1A1TDP1SLC6A2SLC6A3KMT2A | |
| SCHEMBL25976206 | 0.75 | ALDH1A1 (0.46) | ALDH1A1EGLN1TDP1SLC6A2SLC6A3 | |
| SCHEMBL11777801 | 0.74 | ALDH1A1 (0.72) | ALDH1A1EGLN1TDP1SLC6A2SLC6A3 | |
| SCHEMBL7654417 | 0.74 | ALDH1A1 (0.67) | ALDH1A1TDP1SLC6A2SLC6A3KMT2A | |
| SCHEMBL31636931 | 0.74 | TDP1 (0.50) | ALDH1A1TDP1SLC6A2SLC6A3KMT2A | |
| SCHEMBL31636866 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TDP1SLC6A2SLC6A3KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294430-A | Preparation method of polysubstituted 2, 6-dicarbonylnaphthalene compound | UNIV ZHEJIANG | 2016-02-03 | — | — | CN | disclosed |