Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.48 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5983793 | 0.98 | PTGS2 (0.49) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL2980868 | 0.98 | PTGS2 (0.49) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL8400694 | 0.95 | AR (0.50) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL29601087 | 0.95 | AR (0.50) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL6230783 | 0.87 | AR (0.47) | PTGS2ARTSHRKDM4EGAA | |
| SCHEMBL27613330 | 0.85 | MEN1 (0.42) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL9644566 | 0.84 | MEN1 (0.44) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL7713273 | 0.84 | MEN1 (0.44) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL28524164 | 0.84 | MEN1 (0.44) | PTGS2ARTSHRMEN1KMT2A | |
| SCHEMBL27652067 | 0.80 | AR (0.44) | PTGS2ARTSHRMEN1KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111217731-B | Ortho-imine ester or cyano-substituted aryl thioether derivative, preparation and application thereof | 广东工业大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-111217731-A | Ortho-imine ester or cyano-substituted aryl thioether derivative, preparation and application thereof | 广东工业大学 | 2020-06-02 | — | — | CN | disclosed |
| EP-0748311-B1 | THERAPEUTIC BENZONITRILES | WELLCOME FOUND (GB) | 1999-08-04 | — | — | EP | disclosed |
| EP-0748311-B1 | THERAPEUTIC BENZONITRILES | WELLCOME FOUND (GB) | 1999-08-04 | — | — | EP | disclosed |
| US-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | disclosed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | disclosed |
| EP-0746542-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-11 | — | — | EP | disclosed |
| EP-0746542-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995023134-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995023134-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |