Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 9/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CDH1 | P12830 | 1/20 | 0.41 |
| ▸ | APC | P25054 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14565646 | 0.79 | HPGD (0.66) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL14565645 | 0.79 | HPGD (0.66) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL1458800 | 0.76 | HPGD (0.55) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL1458523 | 0.71 | ALDH1A1 (0.48) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL30555665 | 0.71 | ALDH1A1 (1.00) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL6291531 | 0.71 | ALDH1A1 (1.00) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL12500826 | 0.70 | HPGD (0.47) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL1458093 | 0.69 | HPGD (0.45) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL15666427 | 0.68 | HPGD (0.93) | HPGDALDH1A1KDM4EGAARAB9A | |
| SCHEMBL15665863 | 0.68 | HPGD (0.93) | HPGDALDH1A1KDM4EGAARAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2473504-A2 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | Bioenergenix (US) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011028947-A2 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX (US) | 2011-03-10 | — | — | WO | disclosed |