Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL10247191 | 0.82 | LMNA (0.42) | ADRA1ALMNASLC22A6TSHRS1PR1 | |
| SCHEMBL2421572 | 0.76 | ADRA1A (0.48) | ADRA1ALMNASLC22A6TSHRHDAC11 | |
| SCHEMBL26861624 | 0.75 | LMNA (0.43) | LMNASLC22A6TSHRHDAC11NFKB1 | |
| SCHEMBL7469077 | 0.75 | ADH1B (0.44) | TSHRS1PR1S1PR3S1PR2HDAC3 | |
| SCHEMBL28417400 | 0.74 | LMNA (0.48) | LMNASLC22A6TSHRHDAC11NFKB1 | |
| Adipic Acid SCHEMBL30173234 | 0.74 | LMNA (0.48) | LMNASLC22A6TSHRHDAC11NFKB1 | |
| SCHEMBL28818283 | 0.74 | LMNA (0.42) | ADRA1ALMNASLC22A6TSHRS1PR1 | |
| SCHEMBL112741 | 0.73 | LMNA (0.59) | ADRA1ALMNASLC22A6TSHRHDAC11 | |
| SCHEMBL28084746 | 0.72 | TSHR (0.50) | LMNASLC22A6TSHRHDAC11NFKB1 | |
| SCHEMBL9936340 | 0.72 | EPHX1 (0.50) | TSHRS1PR1S1PR3S1PR2ALDH1A1 |
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-2101585-A1 | DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | Cenerx Biopharma, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008141112-A1 | METHODS OF TREATING RETT SYNDROME | CENERX BIOPHARMA, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008066874-A1 | DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | CENERX BIOPHARMA, INC. (US) | 2008-06-05 | — | — | WO | disclosed |