Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | SSTR5 | P35346 | 3/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL4415325 | 0.96 | HSP90AA1 (0.35) | HSP90AA1HDAC1AAK1NSD2PLAU | |
| SCHEMBL4427891 | 0.92 | SSTR5 (0.37) | HDAC1PDE5AHDAC2HDAC6SSTR5 | |
| SCHEMBL1445071 | 0.87 | CYP2D6 (0.33) | HDAC1PDE5AHDAC2HDAC6SSTR5 | |
| SCHEMBL4412902 | 0.87 | ACACB (0.41) | AAK1SSTR5MKNK1MKNK2IGF1R | |
| SCHEMBL4423082 | 0.86 | IRAK4 (0.33) | AAK1KCNH2OPRD1CSF1RIGF1R | |
| SCHEMBL4412864 | 0.85 | SSTR5 (0.34) | SSTR5 | |
| SCHEMBL4416789 | 0.84 | ACACB (0.38) | SSTR5MKNK1MKNK2CSF1RFGFR1 | |
| SCHEMBL4423456 | 0.83 | S1PR1 (0.34) | SSTR5CSF1RIRAK4 | |
| SCHEMBL4423563 | 0.83 | TTK (0.33) | — | |
| SCHEMBL4427980 | 0.83 | GSK3B (0.33) | SSTR5MKNK1MKNK2CSF1RIRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |