Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7559609 | 0.71 | AKR1C1 (0.38) | AKR1C1HDAC4GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL6589887 | 0.63 | MAPK1 (0.34) | AKR1C1HDAC4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL9508534 | 0.61 | AKR1C1 (0.45) | AKR1C1HDAC4GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL27863269 | 0.60 | AKR1C1 (0.41) | AKR1C1HDAC4LMNAALDH1A1HTT | |
| SCHEMBL10639105 | 0.58 | AKR1C1 (0.47) | AKR1C1HDAC4GRIN2DGRIN3BCYP2B6 | |
| SCHEMBL1040024 | 0.58 | OPRL1 (0.55) | AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL29195226 | 0.58 | OPRL1 (0.55) | AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL4556223 | 0.58 | OPRL1 (0.55) | AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL16469256 | 0.58 | OPRL1 (0.55) | AKR1C1HDAC4OPRM1OPRD1 | |
| SCHEMBL60129 | 0.58 | OPRL1 (0.55) | AKR1C1HDAC4OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376684-B1 | CHEMICAL INTERMEDIATE FOR OXYBUTYNIN-TYPE COMPOUNDS | SEPRACOR INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1127043-A1 | STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS | Sepracor Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6180823-B1 | CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID | SEPRACOR INC. | 2001-01-30 | — | — | US | disclosed |
| WO-2000027786-A1 | STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS | SEPRACOR INC. (US) | 2000-05-18 | — | — | WO | disclosed |