Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL592798 | 0.84 | GRIA1 (0.31) | TDP1 | |
| SCHEMBL3540081 | 0.81 | METAP2 (0.37) | CYP2A6GPR3HPGD | |
| SCHEMBL28839453 | 0.80 | SLC6A4 (0.34) | HSD11B1PDK2TP53SMN1; SMN2POLB | |
| SCHEMBL3289120 | 0.80 | HSD11B1 (0.41) | HSD11B1ARHPGDTDP1 | |
| SCHEMBL5117336 | 0.78 | NOTUM (0.41) | HSD11B1PDK2 | |
| SCHEMBL9453855 | 0.77 | CYP2A6 (0.38) | CYP2A6DPP4HSD11B1PTPRCNPC1 | |
| SCHEMBL3971470 | 0.75 | NOTUM (0.39) | GPR3NPC1RAB9A | |
| SCHEMBL3583635 | 0.74 | CYP2A6 (0.38) | CYP2A6DPP4GPBAR1HSD11B1PDK2 | |
| SCHEMBL15637646 | 0.73 | PDK2 (0.35) | PDK2 | |
| SCHEMBL6259560 | 0.73 | ABL1 (0.38) | PDK2RAB9APOLBKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343768-A1 | ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS | Bristol-Myers Squibb Pharma Company (US) | 2003-09-17 | — | — | EP | claimed |
| WO-2002059082-A2 | ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-08-01 | — | — | WO | claimed |
| EP-2903440-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer CropScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014053450-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2014-04-10 | — | — | WO | disclosed |