Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | MC3R | P41968 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL29444266 | 0.85 | KDM4E (0.52) | KDM4EMAPTTDP1NPC1RAB9A | |
| SCHEMBL2929844 | 0.85 | KDM4E (0.52) | KDM4EMAPTTDP1NPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL27925265 | 0.80 | GABRG2 (0.38) | KDM4EALDH1A1 | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL27792055 | 0.78 | RAB9A (0.51) | KMT2AKDM4EMAPTNPC1RAB9A | |
| SCHEMBL25006751 | 0.74 | KDM4E (0.47) | KMT2AKDM4EMAPTTDP1NPC1 | |
| SCHEMBL25007722 | 0.74 | KDM4E (0.47) | KMT2AKDM4EMAPTTDP1NPC1 | |
| Ethoxycarbonyl Group SCHEMBL27792132 | 0.74 | KMT2A (0.39) | KMT2AKDM4EMAPTTDP1NPC1 | |
| Ethoxycarbonyl Group SCHEMBL27836255 | 0.73 | CDC7 (0.37) | KMT2AKDM4EMAPTTDP1NPC1 | |
| SCHEMBL2558377 | 0.73 | POLB (0.61) | KMT2AKDM4EMAPTTDP1NPC1 | |
| SCHEMBL30568667 | 0.73 | POLB (0.61) | KMT2AKDM4EMAPTTDP1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101848899-B | As the N-benzyl of LXR conditioning agent, N '-aryl carbonyl bridged piperazine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2016-03-02 | — | — | CN | disclosed |
| CN-101848899-A | N-benzyl, n' -arylcarbonylpiperazine derivatives as lxr modulators | ORGANON NV | 2010-09-29 | — | — | CN | disclosed |