Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 5/20 | 0.33 |
| ▸ | MGAM | O43451 | 3/20 | 0.33 |
| ▸ | SI | P14410 | 3/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | ACP1 | P24666 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL288904 | 0.79 | ALDH1A1 (0.46) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL29967087 | 0.79 | ALDH1A1 (0.46) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL7170287 | 0.76 | ALDH1A1 (0.39) | ALDH1A1GAAHSD17B10PKMMAPT | |
| Hydrazine SCHEMBL5242106 | 0.76 | ALDH1A1 (0.47) | ALDH1A1GAAMGAMSIMGAM2 | |
| Nitrogen SCHEMBL29241843 | 0.76 | ALDH1A1 (0.43) | ALDH1A1GAAMGAMSIMGAM2 | |
| Aniline SCHEMBL11350739 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10PKMMAPTNPC1 | |
| SCHEMBL12637458 | 0.68 | ALDH1A1 (0.42) | ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29737639 | 0.65 | PDPK1 (0.46) | ALDH1A1GAAHSD17B10MAPTRAB9A | |
| SCHEMBL2088378 | 0.65 | PDPK1 (0.46) | ALDH1A1GAAHSD17B10MAPTRAB9A | |
| SCHEMBL10900782 | 0.64 | ALDH1A1 (0.42) | ALDH1A1HSD17B10MAPTNPC1RAB9A |
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-104987350-A | Chiral alpha-amino phosphonate ester compounds having anti-virus activity and containing benzothiazole heterocycle, preparation and applications thereof | UNIV GUIZHOU | 2015-10-21 | — | — | CN | disclosed |