Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17363823 | 0.79 | HDAC3 (0.32) | ALDH1A1GAALMNA | |
| SCHEMBL472137 | 0.76 | HPGD (0.48) | MEN1KMT2AALDH1A1HPGDCYP19A1 | |
| SCHEMBL472034 | 0.75 | ALOX15 (0.65) | MEN1KMT2AALDH1A1HPGDGAA | |
| SCHEMBL28317930 | 0.74 | KCNA3 (0.47) | MEN1KMT2AALDH1A1 | |
| SCHEMBL1686063 | 0.74 | ALDH1A1 (0.48) | MEN1KMT2AALDH1A1HPGDGAA | |
| SCHEMBL28408793 | 0.71 | ALDH1A1 (0.43) | KMT2AALDH1A1HPGDGAAKDM4E | |
| SCHEMBL6353529 | 0.70 | KMT2A (0.51) | MEN1KMT2AALDH1A1GAAALOX15 | |
| SCHEMBL7311628 | 0.70 | LTA4H (0.44) | — | |
| SCHEMBL11437247 | 0.69 | CYP19A1 (0.52) | MEN1KMT2AALDH1A1HPGDGAA | |
| SCHEMBL8878303 | 0.69 | ALDH1A1 (0.31) | ALDH1A1 |
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 |