Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9131964 | 0.90 | ALDH1A1 (0.37) | HCRTR1HCRTR2RORCPTGDR2ALDH1A1 | |
| SCHEMBL7442500 | 0.84 | TRPA1 (0.34) | RORCPTGDR2ALDH1A1 | |
| SCHEMBL9130879 | 0.78 | ALDH1A1 (0.39) | HCRTR1HCRTR2PTGDR2ALDH1A1CYP2D6 | |
| SCHEMBL19565825 | 0.73 | HCRTR1 (0.42) | HCRTR1HCRTR2PTGDR2CYP2D6 | |
| SCHEMBL7445080 | 0.69 | ACE (0.38) | PTGDR2ALDH1A1 | |
| SCHEMBL7445854 | 0.68 | SCN1A (0.36) | CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL7442088 | 0.67 | TBXAS1 (0.38) | ALDH1A1LMNA | |
| SCHEMBL9130638 | 0.67 | PPM1D (0.38) | ALDH1A1 | |
| SCHEMBL9134829 | 0.66 | L3MBTL1 (0.41) | CYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7444375 | 0.66 | TRPA1 (0.39) | CYP3A4CYP1A2LMNA |
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-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |