Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7110405 | 1.00 | NPC1 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8037160 | 1.00 | NPC1 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8296044 | 0.95 | RAB9A (0.48) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8297239 | 0.92 | NPC1 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8291067 | 0.90 | NPC1 (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8300253 | 0.90 | NPC1 (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL9423119 | 0.85 | RAB9A (0.37) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10342539 | 0.84 | RAB9A (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10342524 | 0.84 | RAB9A (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL10342493 | 0.84 | RAB9A (0.51) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5389291-A | Components of liquid crystalline media | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0513262-A1 | 3,6-DISUBSTITUTED 2-HALOPYRIDINES | MERCK PATENT GmbH (DE) | 1992-11-19 | — | — | EP | disclosed |
| WO-1992009576-A1 | 3,6-DISUBSTITUTED 2-HALOPYRIDINES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1992-06-11 | — | — | WO | disclosed |