Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | DGKA | P23743 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570508 | 0.90 | CYP1A2 (0.73) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL50610 | 0.90 | CYP1A2 (0.73) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| Diethyl Octadecanedioate SCHEMBL496152 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL19066941 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL494100 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL6055406 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL1483107 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL33870 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL495925 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 | |
| SCHEMBL440349 | 0.87 | CYP1A2 (0.70) | CYP1A2ALDH1A1TSHRALOX15TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110267948-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods of making the modulators | 弗特克斯药品有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-101652066-B | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | 默沙东公司 | 2016-08-17 | — | — | CN | disclosed |