Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | RXRB | P28702 | 4/20 | 0.53 |
| ▸ | RXRA | P19793 | 3/20 | 0.53 |
| ▸ | RXRG | P48443 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30299191 | 0.83 | HRH3 (0.72) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL921884 | 0.80 | HRH3 (0.43) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL12472442 | 0.80 | HRH3 (0.72) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL920751 | 0.77 | HRH3 (0.43) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL919605 | 0.74 | MAOB (0.50) | NPC1RAB9AL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL8462058 | 0.74 | RXRB (0.61) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL11961605 | 0.73 | NPC1 (0.64) | NPC1RAB9ARXRBRXRARXRG | |
| SCHEMBL6507309 | 0.73 | MAOB (0.50) | ALDH1A1MAOB | |
| SCHEMBL2264253 | 0.73 | MAOB (0.56) | HRH3MAOAMAOBKDM4E | |
| SCHEMBL30714042 | 0.72 | ADRA1D (0.60) | NPC1RAB9ARXRBRXRARXRG |
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-105175360-B | Ether-type aryl bridged piperazine derivatives and its salt, preparation method and purposes | 洛阳师范学院 | 2017-12-15 | — | — | CN | disclosed |
| CN-105175360-A | Ether aryl piperazine derivatives, and salts, preparation methods and application thereof | UNIV LUOYANG NORMAL | 2015-12-23 | — | — | CN | disclosed |