Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28061650 | 0.79 | TMEM97 (0.35) | TMEM97SIGMAR1TBXA2RKMT2AKDM4E | |
| SCHEMBL28124735 | 0.79 | HCRTR2 (0.38) | TMEM97SIGMAR1TBXA2RHTTALDH1A1 | |
| SCHEMBL28125140 | 0.77 | GLA (0.43) | KMT2AKDM4EALDH1A1SMN1; SMN2HIF1A | |
| SCHEMBL28061680 | 0.76 | LTB4R (0.38) | TMEM97SIGMAR1TBXA2RMAOBTBXAS1 | |
| SCHEMBL28067355 | 0.74 | MMP9 (0.44) | ACACB | |
| SCHEMBL28061646 | 0.73 | KDM4E (0.38) | TMEM97SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL3101144 | 0.71 | GLA (0.50) | EGFRERBB2NR1H2NR1H3CYP26B1 | |
| SCHEMBL28061679 | 0.71 | P2RX3 (0.40) | KMT2AMAOB | |
| SCHEMBL28093132 | 0.71 | SMN1; SMN2 (0.39) | HTTKDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL28093453 | 0.70 | CYP2A6 (0.39) | TBXA2RTBXAS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101784520-A | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORP | 2010-07-21 | — | — | CN | disclosed |