Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | MC1R | Q01726 | 1/20 | 0.32 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 4/20 | 0.31 |
| ▸ | CTSS | P25774 | 4/20 | 0.31 |
| ▸ | CTSK | P43235 | 4/20 | 0.31 |
| ▸ | CTSV | O60911 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4049357 | 0.93 | CTSK (0.37) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4048801 | 0.91 | CTSK (0.39) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4049192 | 0.90 | CTSK (0.37) | MC4RMC3RMC1RPREPFAP | |
| SCHEMBL4051523 | 0.89 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4045167 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4039150 | 0.89 | CHRNA7 (0.36) | ALDH1A1HPGDKDM4ERAB9AHSD17B10 | |
| SCHEMBL4046525 | 0.88 | TAS1R3 (0.34) | ALDH1A1HPGDKDM4EHSD17B10NPSR1 | |
| SCHEMBL4042524 | 0.85 | CHRNA7 (0.37) | ALDH1A1HPGDKDM4ENPC1HSD17B10 | |
| SCHEMBL4047535 | 0.85 | MC4R (0.38) | MC4RMC3RMC1RPREPFAP | |
| SCHEMBL4042961 | 0.85 | CTSK (0.36) | PREPFAPCTSLCTSSCTSK |
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-1587814-B1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 2-SUBSTITUTED 1-(HYDROXY-ETHYLIDENE)-1,1-BISPHOSPHONIC ACIDS OF HIGH PURITY AND THE SALTS THEREOF | RICHTER GEDEON NYRT (HU) | 2009-01-14 | — | — | EP | disclosed |