Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6555325 | 1.00 | ADORA2B (0.60) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL6554070 | 0.89 | ADORA2B (0.72) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL6554077 | 0.89 | ADORA2B (0.72) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL6555024 | 0.88 | ADORA2B (0.73) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL6555021 | 0.88 | ADORA2B (0.73) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL9155034 | 0.88 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL9157110 | 0.88 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL9157123 | 0.88 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL9155023 | 0.88 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL20216436 | 0.87 | ADORA2B (0.44) | ADORA2BADORA3ADORA2AADORA1KDM4E |
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 |