Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899758 | 0.85 | HSD17B10 (0.36) | HPGDL3MBTL1CYP3A4TSHRMAPK1 | |
| SCHEMBL9900279 | 0.84 | L3MBTL1 (0.35) | HPGDL3MBTL1CYP3A4TSHRMAPK1 | |
| SCHEMBL15797402 | 0.70 | HSD17B10 (0.45) | HPGDL3MBTL1CYP3A4TSHRMAPK1 | |
| SCHEMBL2541430 | 0.68 | — | — | |
| SCHEMBL3721466 | 0.67 | — | — | |
| SCHEMBL2541426 | 0.66 | CYP1A1 (0.40) | CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL6129153 | 0.63 | HSD17B10 (0.48) | HPGDL3MBTL1CYP3A4TSHRMAPK1 | |
| SCHEMBL1933777 | 0.63 | HPRT1 (0.58) | HPGDCYP3A4TSHRMAPK1HIF1A | |
| SCHEMBL12405250 | 0.62 | HPRT1 (0.52) | HPGDL3MBTL1CYP3A4TSHRMAPK1 | |
| SCHEMBL5012544 | 0.62 | CYP2A6 (0.39) | HPGDL3MBTL1CYP3A4TSHRMAPK1 |
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 |