Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.60 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 2/20 | 0.47 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13793647 | 0.91 | HTR1A (0.53) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL15331777 | 0.84 | HTR1A (0.53) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL12894386 | 0.84 | HTR1A (0.50) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL9706382 | 0.82 | MAPT (0.58) | HTR1ASLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL30080427 | 0.82 | MAPT (0.58) | HTR1ASLC6A2SLC6A4SLC6A3MAPT | |
| SCHEMBL13154288 | 0.80 | MCL1 (0.49) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL13794280 | 0.77 | MCL1 (0.53) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL2190382 | 0.77 | HTR1A (1.00) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL2557398 | 0.77 | LIPE (0.55) | HTR1ASLC6A2SLC6A4SLC6A3MCL1 | |
| SCHEMBL5839089 | 0.76 | ALDH1A1 (0.62) | ALDH1A1KDM4EMEN1TP53KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108658735-A | A kind of Isosorbide-5-Nitrae-is bis-（Difluorophenoxymethyl）The synthetic method of benzene | 东南大学 | 2018-10-16 | — | — | CN | claimed |
| CN-108658735-A | A kind of Isosorbide-5-Nitrae-is bis-（Difluorophenoxymethyl）The synthetic method of benzene | 东南大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-108658735-A | A kind of Isosorbide-5-Nitrae-is bis-（Difluorophenoxymethyl）The synthetic method of benzene | 东南大学 | 2018-10-16 | — | — | CN | disclosed |