Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10343265 | 1.00 | NPC1 (0.54) | NPC1RAB9AKDM1AMAOBBRD4 | |
| SCHEMBL1399533 | 0.88 | SLC18A3 (0.48) | NPC1RAB9ASLC18A3SIGMAR1GRIN2B | |
| SCHEMBL10343084 | 0.88 | SLC18A3 (0.48) | NPC1RAB9ASLC18A3SIGMAR1GRIN2B | |
| SCHEMBL15757454 | 0.84 | NPC1 (0.70) | NPC1RAB9AKDM1AMAOBBRD4 | |
| SCHEMBL19798675 | 0.84 | NPC1 (0.38) | NPC1RAB9ASLC18A3FFAR1NAAA | |
| Cyanide SCHEMBL27950993 | 0.82 | NPC1 (0.63) | NPC1RAB9AKDM1AMAOBBRD4 | |
| Ammonia Solution, Strong SCHEMBL2454353 | 0.82 | NPC1 (0.68) | NPC1RAB9AKDM1AMAOBBRD4 | |
| SCHEMBL30909 | 0.80 | ESR2 (0.41) | ALDH1A1MAPTKMT2ACYP2D6 | |
| SCHEMBL7733708 | 0.78 | KDM4E (0.39) | SLC18A3SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL7733705 | 0.78 | KDM4E (0.39) | SLC18A3SIGMAR1KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0259346-B1 | R-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |
| EP-0259346-A1 | r-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-16 | — | — | EP | disclosed |
| WO-1987005618-A1 | r-1-CYAN-1-R2-CIS-4-R1-CYCLOHEXANE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-09-24 | — | — | WO | disclosed |
| US-4154697-A | Liquid crystalline hexahydroterphenyl derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1979-05-15 | — | — | US | disclosed |