Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16710322 | 0.84 | LMNA (0.50) | AKR1C3AKR1C2AKR1C4AKR1C1TRPA1 | |
| SCHEMBL6934499 | 0.83 | HDAC4 (0.50) | AKR1C3AKR1C2HDAC4HDAC8AKR1C4 | |
| SCHEMBL26378188 | 0.82 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C4AKR1C1CYP1A1 | |
| SCHEMBL27632212 | 0.81 | MIF (0.55) | HDAC4HDAC8THRATHRBFYN | |
| SCHEMBL18087561 | 0.80 | ACHE (0.53) | HDAC4HDAC8THRATHRBFYN | |
| SCHEMBL18084773 | 0.80 | PTPN5 (0.56) | PTPN5AKR1C3AKR1C2HDAC4HDAC8 | |
| SCHEMBL487170 | 0.79 | CYP1A1 (0.53) | AKR1C3AKR1C2HDAC4HDAC8RXRA | |
| SCHEMBL4282140 | 0.79 | PTPN5 (0.57) | PTPN5AKR1C3AKR1C2HDAC4HDAC8 | |
| SCHEMBL6572257 | 0.78 | FYN (0.55) | HDAC4HDAC8THRATHRBFYN | |
| SCHEMBL16429142 | 0.78 | HDAC4 (0.51) | AKR1C3AKR1C2HDAC4HDAC8THRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066072-B1 | BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS | UNIV KANSAS (US) | 2021-11-03 | — | — | EP | disclosed |
| WO-2015070091-A1 | BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS | THE UNIVERSITY OF KANSAS (US) | 2015-05-14 | — | — | WO | disclosed |