Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 6/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550667 | 0.69 | ALDH1A1 (0.41) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL271625 | 0.69 | — | — | |
| SCHEMBL1995341 | 0.67 | — | — | |
| SCHEMBL9130272 | 0.67 | KCNN4 (0.56) | OPRM1DRD4DRD3KCNN4ALDH1A1 | |
| SCHEMBL7317845 | 0.67 | KCNN4 (0.41) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| Tert-Butylbenzene SCHEMBL10512662 | 0.64 | GRIN1 (0.53) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL28653244 | 0.64 | KIF11 (0.41) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL3087077 | 0.63 | KIF11 (0.42) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL27745335 | 0.63 | KCNN4 (0.44) | KCNN4ALDH1A1CYP2D6 | |
| SCHEMBL8660746 | 0.63 | GRIN1 (0.54) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1811034-A2 | Compounds and method for inhibiting axillary malodour | Givaudan SA (CH) | 2007-07-25 | — | — | EP | disclosed |
| EP-1387891-A2 | COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR | Givaudan SA (CH) | 2004-02-11 | — | — | EP | disclosed |
| WO-2002092024-A2 | COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR | GIVAUDAN SA (CH) | 2002-11-21 | — | — | WO | disclosed |