Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29818055 | 0.82 | RAB9A (1.00) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL13401868 | 0.81 | NPC1 (0.70) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL15679860 | 0.81 | NPC1 (0.77) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL15678774 | 0.79 | NPC1 (0.70) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL15678779 | 0.79 | NPC1 (0.70) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL29818032 | 0.78 | RAB9A (0.77) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL29818011 | 0.78 | RAB9A (0.71) | NPC1RAB9AL3MBTL1LMNAMEN1 | |
| SCHEMBL29818132 | 0.76 | NPC1 (0.72) | NPC1RAB9AL3MBTL1HDAC3HDAC4 | |
| SCHEMBL19334327 | 0.74 | L3MBTL1 (0.51) | L3MBTL1LMNAALDH1A1CA1CA2 | |
| SCHEMBL29818026 | 0.74 | NPC1 (0.75) | NPC1RAB9AL3MBTL1HDAC3HDAC4 |
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-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |