Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL412577 | 0.80 | HSD17B10 (0.58) | HSD17B10ALDH1A1AHRBRD4ERN1 | |
| SCHEMBL30234849 | 0.78 | CYP2A6 (0.52) | HSD17B10ALDH1A1BRD4TYRCYP2A6 | |
| SCHEMBL670319 | 0.78 | ALDH1A1 (0.45) | HSD17B10ALDH1A1KDM4EALDH1A3KIF11 | |
| SCHEMBL1725545 | 0.78 | HSD17B10 (0.56) | HSD17B10ALDH1A1TDP1AHRTTR | |
| SCHEMBL6702064 | 0.78 | ALDH5A1 (0.50) | ALDH1A1ERN1ALDH5A1ABATKDM4E | |
| SCHEMBL2013120 | 0.77 | HSD17B10 (0.84) | HSD17B10ALDH1A1AHRTYRCYP1A2 | |
| SCHEMBL2936537 | 0.76 | AHR (0.55) | HSD17B10ALDH1A1TDP1AHRCYP1A2 | |
| SCHEMBL670573 | 0.75 | ALDH1A1 (0.42) | HSD17B10ALDH1A1TDP1ERN1ALDH1A3 | |
| SCHEMBL4372478 | 0.74 | ALDH1A1 (0.68) | HSD17B10ALDH1A1AHRTYRVCAM1 | |
| SCHEMBL2009103 | 0.74 | KIF11 (0.54) | HSD17B10ALDH1A1TYRKIF11DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117820303-A | Tetrahydroacridine-9 carboxylic acid derivative and preparation method and application thereof | 中国药科大学 | 2024-04-05 | — | — | CN | disclosed |
| WO-2012085169-A1 | METALLIC AMIDOBORATES FOR FUNCTIONALIZING ORGANIC COMPOUNDS | HAAG BENJAMIN (DE) | 2012-06-28 | — | — | WO | disclosed |