Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12684642 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12484668 | 1.00 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12486525 | 0.92 | HPGD (0.41) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12684589 | 0.92 | HPGD (0.41) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12486521 | 0.92 | HPGD (0.41) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12485727 | 0.90 | KMT2A (0.41) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12485722 | 0.90 | KMT2A (0.41) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12684591 | 0.85 | HPGD (0.47) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12486947 | 0.85 | HPGD (0.47) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12486948 | 0.85 | HPGD (0.47) | ALDH1A1HSP90AA1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012117421-A1 | HISTONE DEACETYLASE INHIBITORS | ORCHID RESEARCH LABORATORIES LTD (IN) | 2012-09-07 | — | — | WO | claimed |
| WO-2012117421-A1 | HISTONE DEACETYLASE INHIBITORS | ORCHID RESEARCH LABORATORIES LTD (IN) | 2012-09-07 | — | — | WO | disclosed |