Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11070482 | 1.00 | CYP1A2 (0.33) | CYP1A2CA1CA2CA4TLR4 | |
| SCHEMBL11065333 | 0.90 | TLR4 (0.34) | CYP1A2TLR4 | |
| SCHEMBL11065340 | 0.90 | TLR4 (0.34) | CYP1A2TLR4 | |
| SCHEMBL11065337 | 0.90 | TLR4 (0.34) | CYP1A2TLR4 | |
| SCHEMBL11073678 | 0.89 | CYP1A2 (0.48) | CYP1A2TLR4NOS1NOS2 | |
| SCHEMBL11073715 | 0.89 | CYP1A2 (0.48) | CYP1A2TLR4NOS1NOS2 | |
| SCHEMBL11073646 | 0.87 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL11073640 | 0.87 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL11071319 | 0.86 | CYP1A2 (0.41) | CYP1A2 | |
| SCHEMBL11066736 | 0.86 | CYP1A2 (0.41) | CYP1A2 |
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 |