Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13826313 | 0.83 | HDAC1 (0.55) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL628743 | 0.78 | NPC1 (0.66) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL30354741 | 0.78 | NPC1 (0.63) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL28990133 | 0.78 | NPC1 (0.63) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL10158532 | 0.78 | MAPT (0.42) | NPC1HDAC1MAPTPOLBRAB9A | |
| SCHEMBL10371584 | 0.77 | NPC1 (0.55) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL11027199 | 0.77 | HDAC1 (0.60) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL10371585 | 0.77 | NPC1 (0.55) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL9509772 | 0.77 | NPC1 (0.55) | NPC1HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL4059231 | 0.77 | NPC1 (0.55) | NPC1HDAC1HDAC3HDAC2NCOR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402011-B1 | S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2012-11-14 | — | — | EP | disclosed |