Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3496504 | 0.86 | PTPN1 (0.57) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL5810025 | 0.84 | PTPN1 (0.56) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL2560216 | 0.82 | HDAC1 (0.69) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL2866244 | 0.80 | HDAC1 (0.71) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL287420 | 0.80 | ALDH1A1 (0.74) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL7744184 | 0.79 | HDAC1 (0.69) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL2871079 | 0.78 | ALDH1A1 (0.50) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL3436257 | 0.77 | ALDH1A1 (0.56) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL27700829 | 0.76 | ALDH1A1 (0.54) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL31604709 | 0.75 | ALDH1A1 (0.50) | PTPN1ALDH1A1HDAC1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |