Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL1707630 | 0.79 | CYP2A6 (0.52) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 | |
| SCHEMBL23527416 | 0.79 | NISCH (0.37) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| Potassium SCHEMBL29867490 | 0.79 | NCEH1 (0.36) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL29867463 | 0.79 | NCEH1 (0.36) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL2126761 | 0.79 | CYP1A2 (0.56) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 | |
| SCHEMBL20025856 | 0.78 | ATM (0.37) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL19682355 | 0.77 | CYP1A2 (0.54) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 | |
| Hydrogen Peroxide SCHEMBL8610674 | 0.76 | CYP1A2 (0.52) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 | |
| SCHEMBL2440482 | 0.76 | TSHR (0.52) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 | |
| SCHEMBL9828476 | 0.76 | CYP2A6 (0.52) | TSHRCYP1A2CYP2A6ALDH1A1ACP3 |
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-20180094088-A1 | Sterically Hindered Metallocenes, Synthesis and Use | EXXONMOBIL CHEMICAL PATENTS INC. | 2018-04-05 | — | — | US | disclosed |