Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18373050 | 0.93 | SRC (0.47) | SRCHDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL18356775 | 0.88 | HDAC8 (0.55) | SRCHDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL18356650 | 0.87 | HDAC8 (0.57) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL18356849 | 0.87 | HDAC8 (0.57) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL18373085 | 0.81 | HDAC8 (0.60) | SRCHDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL19522211 | 0.80 | NAMPT (0.35) | EP300FOLH1 | |
| SCHEMBL18373084 | 0.80 | HDAC8 (0.62) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL18373098 | 0.80 | HDAC8 (0.62) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL18356768 | 0.79 | SRC (0.43) | SRCHDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL17928352 | 0.74 | — | — |
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-9802942-B2 | Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity | NORTHWESTERN UNIVERSITY (US) | 2017-10-31 | — | — | US | disclosed |