Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5613091 | 0.89 | RARB (0.50) | GPR3PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9399359 | 0.88 | RARB (0.49) | GPR3PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL27992110 | 0.86 | GPR3 (0.50) | GPR3ALDH1A1HTR2AKAT8 | |
| SCHEMBL22748434 | 0.85 | SKP2 (0.53) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL17418137 | 0.85 | ESR1 (0.48) | GPR3PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9016216 | 0.85 | ESR1 (0.48) | GPR3PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL11246974 | 0.85 | SKP2 (0.53) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL22748280 | 0.83 | HTR2A (0.52) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL574315 | 0.83 | KAT8 (0.59) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL21215485 | 0.83 | SKP2 (0.47) | ALDH1A1TP53HSD17B10SKP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2452942-A1 | SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM | Sumitomo Chemical Company, Limited (JP) | 2012-05-16 | — | — | EP | disclosed |