Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL648766 | 0.84 | CYP1A1 (0.40) | CYP1B1CYP1A1CYP1A2TYMSNQO1 | |
| SCHEMBL2541426 | 0.84 | CYP1A1 (0.40) | CYP1B1CYP1A1CYP1A2TYMSELANE | |
| SCHEMBL3465692 | 0.83 | NQO1 (0.33) | ELANENQO1ALDH1A1CA1CA2 | |
| SCHEMBL11126903 | 0.80 | CYP1A1 (0.56) | CYP1B1CYP1A1CYP1A2ALDH1A1HIF1A | |
| SCHEMBL5478903 | 0.80 | CYP1A1 (0.56) | CYP1B1CYP1A1CYP1A2ALDH1A1HIF1A | |
| SCHEMBL5668942 | 0.80 | CYP1A1 (0.56) | CYP1B1CYP1A1CYP1A2ALDH1A1HIF1A | |
| SCHEMBL16151203 | 0.80 | NQO1 (0.44) | CYP1B1CYP1A2ELANENQO1ALDH1A1 | |
| SCHEMBL825806 | 0.78 | CYP1A1 (0.58) | CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL30375647 | 0.78 | CYP1A1 (0.58) | CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL29750775 | 0.78 | CYP1A1 (0.58) | CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10 |
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-1687830-B1 | ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS | MERCK PATENT GMBH (DE) | 2010-07-28 | — | — | EP | disclosed |
| EP-1808866-A1 | Organic semiconducting layer formulations comprising polyacenes and organic binder polymers | Merck Patent GmbH (DE) | 2007-07-18 | — | — | EP | disclosed |
| EP-1783781-A2 | ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS | Merck Patent GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |