Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.63 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CASP1 | P29466 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HBB | P68871 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5747772 | 0.84 | ALDH1A1 (0.61) | CYP1A2CYP2A6CTDSP1ALDH1A1HSD17B10 | |
| SCHEMBL5748079 | 0.84 | ALDH1A1 (0.61) | CYP1A2CYP2A6CTDSP1ALDH1A1HSD17B10 | |
| SCHEMBL14100536 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2A6CTDSP1ALDH1A1HSD17B10 | |
| SCHEMBL28064191 | 0.81 | CYP2A6 (0.71) | CYP1A2CYP2A6CTDSP1ALDH1A1HSD17B10 | |
| SCHEMBL28204381 | 0.78 | CTDSP1 (0.59) | CYP1A2CYP2A6CTDSP1ALDH1A1HSD17B10 | |
| SCHEMBL597735 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD | |
| SCHEMBL29405526 | 0.77 | CTDSP1 (0.63) | CYP1A2CTDSP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL12377533 | 0.77 | CTDSP1 (0.63) | CYP2A6CTDSP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL29498396 | 0.77 | CTDSP1 (0.63) | CYP1A2CTDSP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL29470563 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305773-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR | Duk San Neolux Co., Ltd. (KR) | 2018-04-11 | — | — | EP | disclosed |
| WO-2011150243-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| EP-1337251-B1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2008-08-20 | — | — | EP | disclosed |