Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17273822 | 0.88 | NPC1 (0.59) | ABCG2MAPTNPC1RAB9APKM | |
| SCHEMBL17273549 | 0.88 | MMP9 (0.55) | ABCG2MMP9MAPTNPC1RAB9A | |
| SCHEMBL18804644 | 0.84 | NPC1 (0.62) | TDP1ABCG2MMP9MAPTNPC1 | |
| SCHEMBL18804645 | 0.80 | TDP1 (0.43) | TDP1ABCG2ADRB2MAPTNPC1 | |
| SCHEMBL17273593 | 0.80 | ABCG2 (0.57) | ABCG2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL31051686 | 0.78 | ALDH1A1 (0.52) | TDP1ABCG2MMP9ADRB2MAPT | |
| SCHEMBL17273544 | 0.77 | NPC1 (0.56) | TDP1MMP9MAPTNPC1RAB9A | |
| SCHEMBL5321983 | 0.77 | SMN1; SMN2 (0.51) | TDP1MAPTALDH1A1GAATSHR | |
| SCHEMBL2528356 | 0.77 | NPC1 (0.57) | MMP9MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL28044434 | 0.77 | KDM4E (0.44) | ABCG2MAPTNPC1RAB9AALDH1A1 |
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-20170121752-A1 | DETECTION OF ACRYLIC ACID | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-05-04 | — | — | US | disclosed |