Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5684616 | 0.88 | TLR4 (0.49) | TLR4MAPTKMT2A | |
| SCHEMBL11382008 | 0.87 | TLR4 (0.49) | TLR4CYP1A2 | |
| SCHEMBL6907323 | 0.81 | TLR4 (0.50) | TLR4CYP1A2CCR2 | |
| 2-Nonanone SCHEMBL19665201 | 0.74 | NPC1 (0.45) | TLR4CYP1A2PTGER4PTGER3PTGER2 | |
| SCHEMBL5274773 | 0.74 | CYP1A2 (0.45) | TLR4ALOX5CYP1A2 | |
| SCHEMBL9924737 | 0.74 | TLR4 (0.53) | TLR4ALOX5 | |
| SCHEMBL10810554 | 0.74 | TLR4 (0.63) | TLR4MAPTKMT2A | |
| SCHEMBL10810560 | 0.74 | TLR4 (0.63) | TLR4MAPTKMT2A | |
| SCHEMBL10836412 | 0.74 | TLR4 (0.63) | TLR4MAPTKMT2A | |
| SCHEMBL28209525 | 0.72 | TLR4 (0.39) | TLR4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4434073-A | Perhydrophenanthrene derivatives, their preparation, and their use in liquid-crystalline dielectrics and electro-optical display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-02-28 | — | — | US | disclosed |