Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ARNT | P27540 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858474 | 0.86 | CYP1A2 (0.34) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11873078 | 0.86 | TDP1 (0.34) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11867053 | 0.86 | EPAS1 (0.38) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11806359 | 0.77 | LMNA (0.38) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11861299 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11814832 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11825070 | 0.75 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11869452 | 0.74 | EPAS1 (0.37) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11862605 | 0.72 | EPAS1 (0.35) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 | |
| SCHEMBL11813265 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRCYP1A2CYP3A4 |
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-3954788-A | INTERMEDIATES FOR HERBIDIDES | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |