Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6555310 | 1.00 | ADORA2B (0.60) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6554077 | 0.91 | ADORA2B (0.72) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6554070 | 0.91 | ADORA2B (0.72) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6553600 | 0.89 | ADORA2B (0.59) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6553611 | 0.89 | ADORA2B (0.59) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6555284 | 0.85 | ADORA2B (0.56) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6555287 | 0.85 | ADORA2B (0.56) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6553578 | 0.84 | ADORA2B (0.60) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL9157123 | 0.84 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1CYP1A2 | |
| SCHEMBL9155023 | 0.84 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004523559-A | — | — | 2004-08-05 | — | — | JP | claimed |
| EP-1372661-A2 | METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA | SmithKline Beecham Corporation (US) | 2004-01-02 | — | — | EP | claimed |
| WO-2002067942-A2 | METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-06 | — | — | WO | claimed |
| EP-1104422-B1 | PHENYL XANTHINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-02-18 | — | — | EP | disclosed |
| EP-1372661-A2 | METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA | SmithKline Beecham Corporation (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002067942-A2 | METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-06 | — | — | WO | disclosed |