Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15003445 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 | |
| SCHEMBL16218708 | 0.80 | HPRT1 (0.37) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 | |
| SCHEMBL31323122 | 0.74 | CYP2A6 (0.44) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 | |
| SCHEMBL19901855 | 0.74 | CYP2A6 (0.44) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 | |
| SCHEMBL15003462 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDHPRT1TDP1 | |
| SCHEMBL9488226 | 0.71 | HAO1 (0.47) | ALDH1A1CYP2A6TSHRCYP1A2HAO1 | |
| SCHEMBL2154633 | 0.70 | ACHE (0.54) | ALDH1A1TSHRHAO1ACHEIDO1 | |
| SCHEMBL577640 | 0.70 | CYP2A6 (0.58) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 | |
| SCHEMBL576094 | 0.69 | ACHE (0.53) | ALDH1A1CYP2A6TSHRCYP1A2HAO1 | |
| SCHEMBL11765384 | 0.68 | ALDH1A1 (0.47) | ALDH1A1CYP2A6TSHRCYP1A2HSD17B10 |
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-2013081315-A1 | COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE COMPRISING SAME AND ELECTRONIC DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE | 덕산하이메탈(주) (KR) | 2013-06-06 | — | — | WO | disclosed |