Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL15530045 | 0.92 | HPGD (0.33) | HTTSIRT2TSHRHPGDPOLB | |
| SCHEMBL2481986 | 0.75 | HPGD (0.33) | HTTSIRT2TSHRHPGDPOLB | |
| Heptane SCHEMBL1614601 | 0.72 | TSHR (0.53) | PTGS2HTTCNR2TSHRTHRB | |
| Decane SCHEMBL8857602 | 0.72 | TSHR (0.53) | PTGS2HTTCNR2TSHRTHRB | |
| Dodecane SCHEMBL2452907 | 0.72 | TSHR (0.53) | PTGS2HTTCNR2TSHRTHRB | |
| Hexadecane SCHEMBL2456024 | 0.72 | TSHR (0.53) | PTGS2HTTCNR2TSHRTHRB | |
| SCHEMBL15529680 | 0.72 | CNR2 (0.38) | HTTCNR2HPGDCNR1NPC1 | |
| SCHEMBL15529494 | 0.72 | CNR2 (0.38) | HTTCNR2HPGDCNR1NPC1 | |
| SCHEMBL2456019 | 0.70 | PTGS2 (0.48) | PTGS2HTTHPGDCYP3A4NPC1 | |
| SCHEMBL1988145 | 0.70 | PTGS2 (0.48) | PTGS2HTTHPGDCYP3A4NPC1 |
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-2013167585-A2 | RECYCLING OF ORGANOTIN COMPOUNDS | UNIVERSITEIT ANTWERPEN (BE) | 2013-11-14 | — | — | WO | disclosed |