Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL21207833 | 0.85 | SLC6A4 (0.37) | SLC6A4SLC6A3PTGS2HSP90AA1HSP90AB1 | |
| SCHEMBL22172107 | 0.85 | PGR (0.39) | HSP90AA1HSP90AB1KMT2ACNR2PDK2 | |
| SCHEMBL19299415 | 0.83 | PTGDR2 (0.36) | MEN1KMT2ACNR1CNR2MAP4K4 | |
| SCHEMBL19299397 | 0.83 | PTGDR2 (0.39) | MEN1KMT2AMAP4K4HPGDSLC6A9 | |
| SCHEMBL22544549 | 0.78 | EGFR (0.38) | MEN1KMT2APDK2MAP4K4RAB9A | |
| SCHEMBL24689415 | 0.77 | MAPT (0.35) | MEN1KMT2AHPGDTSHRHSD17B10 | |
| SCHEMBL23018775 | 0.77 | EGFR (0.40) | MEN1KMT2APDK2RAB9ANPC1 | |
| SCHEMBL22182259 | 0.76 | MEN1 (0.38) | MEN1KMT2ACYP1A2MAP4K4TSHR | |
| SCHEMBL24773785 | 0.76 | — | — | |
| SCHEMBL20903895 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019146938-A1 | COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2019-08-01 | — | — | WO | disclosed |