Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL11073715 | 1.00 | CYP1A2 (0.48) | CYP1A2LMNAMAPK1HTTNOS1 | |
| SCHEMBL11073640 | 0.95 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11073646 | 0.95 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11071316 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11075723 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11066736 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11069626 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11071319 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11066741 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 | |
| SCHEMBL11071935 | 0.93 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTSIGMAR1 |
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 |