Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 10/20 | 0.51 |
| ▸ | NPC1 | O15118 | 9/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467494 | 0.87 | HDAC1 (0.55) | MAPTKMT2AMEN1HDAC1HDAC6 | |
| SCHEMBL3468955 | 0.84 | NPC1 (0.51) | MAPTSMN1; SMN2RAB9ANPC1KMT2A | |
| SCHEMBL3467572 | 0.80 | HDAC1 (0.51) | MAPTTP53KMT2AMEN1HDAC1 | |
| SCHEMBL3467367 | 0.80 | CNR2 (0.51) | MAPTKMT2AMEN1HTTHDAC1 | |
| SCHEMBL3467882 | 0.79 | HDAC1 (0.50) | MAPTRAB9ANPC1HTTKDM4E | |
| SCHEMBL7926022 | 0.77 | HPGD (0.53) | SMN1; SMN2HSD17B10NPSR1ALDH1A1HPGD | |
| SCHEMBL3467299 | 0.76 | HDAC1 (0.53) | MAPTKMT2AMEN1HDAC1HDAC6 | |
| SCHEMBL3468762 | 0.76 | HDAC1 (0.51) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL3468139 | 0.76 | CNR2 (0.58) | KMT2AMEN1HDAC1HDAC6HDAC3 | |
| SCHEMBL3467928 | 0.74 | HDAC1 (0.60) | HDAC1HDAC6HDAC3HDAC4HDAC7 |
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-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |