Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL1607613 | 0.85 | EGFR (0.44) | ADRB2EGFRKDM4EL3MBTL1HTR1A | |
| SCHEMBL15899323 | 0.81 | HTT (0.40) | KDM4EL3MBTL1TP53TAAR1HTT | |
| SCHEMBL2857243 | 0.81 | EGFR (0.39) | ADRB2EGFRABCG2TP53 | |
| SCHEMBL6934710 | 0.79 | SYK (0.48) | ADRB2EGFRL3MBTL1CHEK1AURKA | |
| SCHEMBL27655851 | 0.76 | HTR1A (0.36) | ABCB1ABCG2L3MBTL1TAAR1HTR1A | |
| SCHEMBL27655748 | 0.74 | L3MBTL1 (0.38) | KDM4EL3MBTL1TAAR1 | |
| SCHEMBL22382257 | 0.74 | ABCB1 (0.51) | ABCB1ABCG2TAAR1HTR1ADRD2 | |
| SCHEMBL27634737 | 0.74 | MAPT (0.45) | EGFRL3MBTL1TAAR1GAA | |
| SCHEMBL4381418 | 0.74 | EGFR (0.36) | ADRB2EGFRTP53 | |
| SCHEMBL2864914 | 0.73 | EGFR (0.37) | ADRB2EGFRKDM4EL3MBTL1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1642880-B1 | HSP90 FAMILY PROTEIN INHIBITORS | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| CN-100567242-C | Hsp90 family protein blockers | KYOWA HAKKO KOGYO KK (JP) | 2009-12-09 | — | — | CN | disclosed |
| CN-1791568-A | Hsp90 family protein inhibitors | KYOWA HAKKO KOGYO KK (JP) | 2006-06-21 | — | — | CN | disclosed |