Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.32 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6133744 | 0.87 | HDAC6 (0.38) | HDAC6PTGS2HDAC1HDAC3KCNH2 | |
| SCHEMBL6133040 | 0.84 | GABRA5 (0.40) | HDAC6PTGS2HDAC1RETADORA2A | |
| SCHEMBL6133930 | 0.84 | RET (0.42) | HDAC6PTGS2RETADORA2AADORA1 | |
| SCHEMBL6134790 | 0.83 | TGFBR1 (0.41) | HDAC6PTGS2HDAC1HDAC3KCNH2 | |
| SCHEMBL6133269 | 0.81 | HPGD (0.42) | HDAC6TGFBR1ALDH1A1KDM4E | |
| SCHEMBL6133569 | 0.81 | HDAC6 (0.45) | HDAC6PTGS2HDAC1HDAC3KCNH2 | |
| SCHEMBL6133645 | 0.80 | TP53 (0.38) | RETCASP3CDK9CASP7ALDH1A1 | |
| SCHEMBL6133158 | 0.80 | PTGS2 (0.56) | PTGS2TGFBR1ALDH1A1PKMKDM4E | |
| SCHEMBL6133441 | 0.79 | ALDH1A1 (0.47) | KCNH2ADORA2AADORA1ALDH1A1PKM | |
| SCHEMBL6133196 | 0.78 | L3MBTL1 (0.40) | HDAC6KCNH2ALDH1A1KDM4E |
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-1441732-A2 | THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003039451-A2 | THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-05-15 | — | — | WO | disclosed |