Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL11071932 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11075727 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11071316 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11069626 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11066741 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11071935 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11071319 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11075723 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11069628 | 1.00 | CYP1A2 (0.41) | CYP1A2LSSSIGMAR1EPHX1CCR2 | |
| SCHEMBL11073646 | 0.98 | CYP1A2 (0.42) | CYP1A2LSSSIGMAR1EPHX1CCR2 |
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 |