Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.39 |
| ▸ | PTGFR | P43088 | 2/20 | 0.39 |
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11728423 | 0.91 | FAAH (0.39) | ALDH1A1NAMPTFAAHCNR2 | |
| SCHEMBL11728316 | 0.87 | PTGFR (0.51) | ALDH1A1PTGER1PTGFR | |
| SCHEMBL11730754 | 0.83 | LTA4H (0.45) | ALDH1A1NAMPTLTA4H | |
| SCHEMBL11728722 | 0.82 | TBXAS1 (0.42) | ALDH1A1NAMPTTOP2ALTA4H | |
| SCHEMBL11728847 | 0.79 | ALDH1A1 (0.44) | ALDH1A1PTGER1PTGFRPTGDR2FAAH | |
| SCHEMBL11726347 | 0.79 | CYP1A2 (0.41) | ALDH1A1NAMPTCYP2C19 | |
| SCHEMBL11728716 | 0.79 | ALDH1A1 (0.40) | ALDH1A1NAMPT | |
| SCHEMBL11728371 | 0.78 | LMNA (0.44) | ALDH1A1PTGER1PTGFR | |
| SCHEMBL11852592 | 0.77 | ALDH1A1 (0.42) | ALDH1A1LTA4H | |
| SCHEMBL11730971 | 0.77 | ADRB2 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |