Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2029417 | 0.82 | FBP1 (0.45) | MAPTKDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL2653159 | 0.79 | PDPK1 (0.39) | MEN1NPC1RAB9AKMT2APDPK1 | |
| SCHEMBL2902222 | 0.76 | F2RL1 (0.40) | MEN1NPC1RAB9AKMT2APDPK1 | |
| SCHEMBL11440352 | 0.76 | ADORA2A (0.41) | ALDH1A1PDPK1ABL1BCRFBP1 | |
| SCHEMBL4047151 | 0.76 | PDPK1 (0.39) | MEN1NPC1RAB9AKMT2APDPK1 | |
| SCHEMBL16990890 | 0.76 | PDPK1 (0.56) | NPC1RAB9APDPK1ABL1BCR | |
| SCHEMBL16112533 | 0.74 | ADRA1A (0.40) | PDPK1ABL1BCRFBP1ADORA2A | |
| SCHEMBL1565328 | 0.74 | PDPK1 (0.53) | MAPTKDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL30457805 | 0.74 | PDPK1 (0.53) | MAPTKDM4EMEN1NPC1ALDH1A1 | |
| SCHEMBL27468615 | 0.73 | HSD17B10 (0.49) | MAPTKDM4EMEN1NPC1ALDH1A1 |
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-2968233-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI Foundation, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014159224-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. (US) | 2014-10-02 | — | — | WO | disclosed |