Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NQO1 | P15559 | 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 | |
|---|---|---|---|---|
| SCHEMBL16218710 | 0.90 | CYP3A4 (0.44) | CYP3A4S100A4LMNAHPGDMAPT | |
| SCHEMBL16218715 | 0.81 | HPRT1 (0.42) | CYP3A4LMNAHPGDMAPTMEN1 | |
| SCHEMBL16218707 | 0.80 | ALDH1A1 (0.43) | CYP3A4LMNAHPGDMAPTMEN1 | |
| SCHEMBL15127056 | 0.79 | S100A4 (0.41) | CYP3A4S100A4LMNAHPGDMAPT | |
| SCHEMBL15126735 | 0.79 | S100A4 (0.41) | CYP3A4S100A4LMNAHPGDMAPT | |
| SCHEMBL22601474 | 0.79 | CYP3A4 (0.40) | CYP3A4LMNAHPGDMAPTPOLB | |
| SCHEMBL25873178 | 0.79 | ALDH1A1 (0.39) | CYP3A4LMNAHPGDMAPTPOLB | |
| SCHEMBL16218713 | 0.78 | PARP14 (0.43) | CYP3A4S100A4LMNAHPGDMAPT | |
| SCHEMBL14951426 | 0.78 | S100A4 (0.41) | CYP3A4S100A4LMNAHPGDMAPT | |
| SCHEMBL25873153 | 0.76 | ALDH1A1 (0.39) | CYP3A4LMNAHPGDMAPTPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9905773-B2 | Compound for organic electronic element, organic electronic element using the same and electronic device thereof | DUK SAN NEOLUX CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |
| US-20140326987-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2014-11-06 | — | — | US | disclosed |