Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.50 |
| ▸ | FOS | P01100 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11282729 | 0.84 | HTR2A (0.62) | HTR2AHTR2CHTR2B | |
| SCHEMBL28292686 | 0.84 | HTR2A (0.57) | CYP1A2HTR2AHTR2CHTR2BGABRA1 | |
| SCHEMBL13484112 | 0.83 | PTGS1 (0.54) | CYP1A2 | |
| SCHEMBL806723 | 0.82 | CA2 (0.63) | ALOX15ALOX12FOSTTRJUN | |
| SCHEMBL11405537 | 0.79 | HTR2A (0.63) | CYP1A2HTR2AHTR2CHTR2BGABRA1 | |
| SCHEMBL25628335 | 0.79 | CYP1A2 (0.57) | CYP1A2CA2PDE10APDGFRBPDGFRA | |
| SCHEMBL20821072 | 0.78 | ALOX15 (0.80) | ALOX15ALOX12FOSTTRJUN | |
| SCHEMBL6336756 | 0.77 | TTR (0.57) | TTRCYP1A2CA2PDE10APDGFRB | |
| SCHEMBL6348328 | 0.77 | KDM4E (0.48) | CYP1A2CA2PDE10APDGFRBPDGFRA | |
| SCHEMBL5678180 | 0.77 | PDE4A (0.59) | TTRCYP1A2CA2PDE10APDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019113312-A1 | ANTICANCER COMPOUND PROCESS | INNOCRIN PHARMACEUTICALS, INC. (US) | 2019-06-13 | — | — | WO | disclosed |