Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135178 | 0.77 | HDAC1 (0.51) | HDAC1HDAC2HDAC3KCNH2RAB9A | |
| SCHEMBL2456399 | 0.73 | ME2 (0.47) | LMNAALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL4536729 | 0.71 | HRH3 (0.55) | ALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL5134342 | 0.70 | KMT2A (0.44) | LMNAHDAC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5134339 | 0.70 | KMT2A (0.44) | LMNAHDAC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5183437 | 0.69 | NPC1 (0.62) | LMNAALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL20339428 | 0.68 | KMT2A (0.74) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL14651869 | 0.67 | RAB9A (0.63) | LMNAHDAC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL6824130 | 0.66 | ALDH1A1 (0.69) | LMNAALDH1A1KDM4EHPGDHTT | |
| SCHEMBL4069836 | 0.66 | HDAC1 (0.72) | HDAC1HDAC2HDAC3KCNH2 |
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-1945617-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | disclosed |