Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.64 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 5/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 5/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 5/20 | 0.45 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.45 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.45 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL633283 | 0.84 | CES1 (0.67) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL11261530 | 0.84 | CES1 (0.67) | CES1SRCMLYCDACHECES2 | |
| SCHEMBL11341422 | 0.81 | CES1 (0.56) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL1606581 | 0.81 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL21310 | 0.81 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL9105008 | 0.81 | CES1 (0.56) | CES1SRCCES2TSHRALDH1A1 | |
| SCHEMBL5158726 | 0.80 | CES1 (0.61) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL9017510 | 0.80 | CES1 (0.61) | CES1SRCPDK1PDK2PDK3 | |
| SCHEMBL9859948 | 0.80 | CES1 (0.50) | CES1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL27459649 | 0.80 | CES1 (0.61) | CES1SRCPDK1PDK2PDK3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104961732-A | Pyrazole Compounds as CRTH2 Antagonists | BOEHRINGER INGELHEIM INT | 2015-10-07 | — | — | CN | disclosed |
| CN-103339125-B | Pyrazole compounds as CRTH2 antagonists | BOEHRINGER INGELHEIM INT | 2015-07-15 | — | — | CN | disclosed |
| CN-104628705-A | Pyrazole compounds as CRTH2 antagonists | BOEHRINGER INGELHEIM INT | 2015-05-20 | — | — | CN | disclosed |
| CN-101321522-B | Preparation method of epoxy butanol intermediate | BASILEA PHARMACEUTICA AG | 2012-05-30 | — | — | CN | disclosed |
| CN-101321522-A | Process for the manufacture of epoxy triazole derivatives | BASILEA PHARMACEUTICA AG (CH) | 2008-12-10 | — | — | CN | disclosed |
| CN-1087017-C | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-07-03 | — | — | CN | disclosed |
| CN-1175950-A | Azole compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-03-11 | — | — | CN | disclosed |
| EP-0809640-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025410-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-22 | — | — | WO | disclosed |