Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | RELA | Q04206 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 10/20 | 0.40 |
| ▸ | MAPT | P10636 | 10/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL14566435 | 0.78 | L3MBTL1 (0.46) | NPC1RAB9ASMN1; SMN2MEN1NFKB1 | |
| SCHEMBL18573537 | 0.77 | NPC1 (0.63) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6246675 | 0.76 | HDAC6 (0.72) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL12900100 | 0.75 | HDAC6 (0.55) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL18573575 | 0.72 | HDAC6 (0.62) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL18573642 | 0.71 | NPC1 (0.63) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL18573588 | 0.69 | HDAC6 (0.58) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL3748204 | 0.69 | HDAC6 (0.60) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL12900103 | 0.69 | FABP3 (0.53) | HDAC6NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL3098138 | 0.68 | HDAC6 (1.00) | HDAC6TP53MAPTHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007035478-A2 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-03-29 | — | — | WO | disclosed |