Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 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 | |
|---|---|---|---|---|
| SCHEMBL9900279 | 0.96 | L3MBTL1 (0.35) | HSD17B10L3MBTL1HPGDHIF1ATSHR | |
| SCHEMBL9900237 | 0.85 | HPGD (0.33) | HSD17B10L3MBTL1HPGDHIF1ATSHR | |
| SCHEMBL9900324 | 0.81 | TYMS (0.35) | — | |
| SCHEMBL5012544 | 0.75 | CYP2A6 (0.39) | HSD17B10L3MBTL1HPGDHIF1ATSHR | |
| SCHEMBL15797402 | 0.73 | HSD17B10 (0.45) | HSD17B10L3MBTL1HPGDHIF1ATSHR | |
| SCHEMBL5014199 | 0.72 | CYP1A2 (0.39) | HSD17B10L3MBTL1HPGDHIF1ATSHR | |
| SCHEMBL29407832 | 0.70 | CA1 (0.30) | — | |
| SCHEMBL28414168 | 0.70 | CA1 (0.30) | — | |
| SCHEMBL3465692 | 0.67 | NQO1 (0.33) | HPGDRAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL6129153 | 0.66 | HSD17B10 (0.48) | HSD17B10L3MBTL1HPGDHIF1ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649082-B1 | NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2015-01-14 | — | — | EP | disclosed |
| EP-2649082-A1 | NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| US-20130248771-A1 | NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2013-09-26 | — | — | US | disclosed |
| WO-2012076092-A1 | NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |