Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.62 |
| ▸ | RAB9A | P51151 | 13/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17273544 | 0.92 | NPC1 (0.56) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL2528356 | 0.92 | NPC1 (0.57) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29072502 | 0.91 | NPC1 (0.62) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL17273593 | 0.89 | ABCG2 (0.57) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL18804643 | 0.84 | TDP1 (0.54) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL23625641 | 0.81 | NPC1 (0.57) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29736032 | 0.81 | NPC1 (0.77) | NPC1RAB9AMAPTALDH1A1PKM | |
| SCHEMBL10512286 | 0.80 | ABCG2 (0.62) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL23625647 | 0.80 | NPC1 (0.71) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL23625628 | 0.78 | NPC1 (0.69) | NPC1RAB9AMAPTALDH1A1KDM4E |
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 |