Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | MITF | O75030 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12366123 | 0.91 | EPHX2 (0.57) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL12366199 | 0.87 | MGLL (0.62) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL7568726 | 0.78 | ALDH1A1 (0.70) | ALDH1A1NPC1MITFHTTRAB9A | |
| SCHEMBL70039 | 0.78 | ALDH1A1 (0.70) | ALDH1A1NPC1MITFHTTRAB9A | |
| SCHEMBL9976374 | 0.77 | EPHX2 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL12366121 | 0.77 | LMNA (0.64) | ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1 | |
| SCHEMBL2330263 | 0.77 | ALDH1A1 (1.00) | ALDH1A1NPC1MITFHTTRAB9A | |
| SCHEMBL8789408 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPC1MITFHTTRAB9A | |
| SCHEMBL16201474 | 0.77 | KMT2A (0.77) | ALDH1A1NPC1MITFHTTRAB9A | |
| SCHEMBL16197808 | 0.77 | ALDH1A1 (0.68) | ALDH1A1NPC1MITFHTTRAB9A |
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-7998986-B2 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS PATENT COMPANY LLC (US) | 2011-08-16 | — | — | US | disclosed |