Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28102844 | 1.00 | SCD (0.41) | SCDHIF1AEPAS1THRATHRB | |
| SCHEMBL9446255 | 0.98 | SCD (0.38) | SCDHIF1AEPAS1THRATHRB | |
| SCHEMBL16976827 | 0.76 | — | — | |
| SCHEMBL678379 | 0.75 | MEN1 (0.42) | SCDHIF1ATHRBTSHRMEN1 | |
| SCHEMBL5346762 | 0.75 | SCD (0.47) | SCDHIF1ATHRBTSHRMEN1 | |
| SCHEMBL20339953 | 0.75 | MEN1 (0.42) | SCDHIF1ATHRBTSHRMEN1 | |
| Bicarbonate SCHEMBL9478968 | 0.75 | SCD (0.58) | SCDTSHRMEN1KMT2AESR1 | |
| SCHEMBL17634359 | 0.74 | — | — | |
| SCHEMBL29482102 | 0.73 | SCD (0.33) | SCDHIF1AEPAS1 | |
| SCHEMBL29482108 | 0.73 | SCD (0.33) | SCDHIF1AEPAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693590-B | A kind of photothermal reagent and its preparation method and application of pH control tumor cell | 复旦大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-105693590-A | Photothermal reagent for identifying tumor cells through pH control and preparation method and application thereof | 复旦大学 | 2016-06-22 | — | — | CN | disclosed |