Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | ACACA | Q13085 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21065440 | 0.86 | PTGS1 (0.44) | HPGDALDH1A1ACACBACACASMN1; SMN2 | |
| SCHEMBL16613203 | 0.80 | NPC1 (0.51) | NPC1RAB9AHPGDCRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL16597575 | 0.79 | NPC1 (0.50) | NPC1RAB9AHPGDCRHBPCRHR2 | |
| SCHEMBL22447136 | 0.75 | POLB (0.64) | RAB9AHPGDALDH1A1MAPTLMNA | |
| SCHEMBL23052920 | 0.72 | NR1H4 (0.56) | NPC1RAB9AHPGDMAPTLMNA | |
| SCHEMBL9458638 | 0.72 | SRD5A2 (0.54) | NPC1RAB9AHPGDMAPTSRD5A2 | |
| SCHEMBL22447135 | 0.72 | XDH (0.51) | HPGDALDH1A1ACACBACACASMN1; SMN2 | |
| SCHEMBL31059195 | 0.72 | NPC1 (0.54) | NPC1RAB9AHPGDCRHBPCRHR2 | |
| SCHEMBL20630947 | 0.71 | ALDH1A1 (0.45) | RAB9AHPGDALDH1A1MAPTACACB | |
| SCHEMBL13431425 | 0.71 | TSHR (0.50) | NPC1RAB9AALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305769-A1 | METHOD FOR PREPARATION OF (7-PHENOXY-4-HYDROXY-1-METHYL-ISOQUINOLINE-3-CARBONYL)-GLYCINE (ROXEDUSTAT) AND ITS INTERMEDIATES BASED ON SIMULTANEOUS OPENING OF OXAZOLIC RING, FISSION OF ETHER AND CREATION OF IMINE | Zentiva K.S. (CZ) | 2018-04-11 | — | — | EP | disclosed |