Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.62 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.62 |
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11034611 | 0.88 | MTNR1A (0.51) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL27598330 | 0.84 | BCHE (0.58) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL5758661 | 0.84 | MTNR1A (0.67) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL7406229 | 0.82 | MTNR1A (0.53) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL5209173 | 0.81 | MTNR1A (0.64) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL1322956 | 0.81 | KDM4E (0.64) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL6583392 | 0.79 | APP (0.62) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL2815923 | 0.79 | KDM4E (0.65) | MTNR1AMTNR1BAPPKDM4ECYP1A2 | |
| SCHEMBL7180842 | 0.79 | STAT3 (0.60) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL3507436 | 0.79 | MTNR1A (0.58) | MTNR1AMTNR1BAPPKDM4ECYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567162-A4 | TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES | VELA ACQUISITION CORP (US) | 2008-04-30 | — | — | EP | disclosed |
| EP-1689408-A1 | TREATMENT OF INFLAMMATORY DISORDERS OF THE EPITHELIUM WITH LOW DOSE 2,3-BENZODIAZEPINES | Vela Pharmaceuticals Inc. (US) | 2006-08-16 | — | — | EP | disclosed |
| EP-1567162-A2 | TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES | Vela Pharmaceuticals Inc. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2005056017-A1 | TREATMENT OF INFLAMMATORY DISORDERS OF THE EPITHELIUM WITH LOW DOSE 2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2005-06-23 | — | — | WO | disclosed |
| WO-2004050616-A2 | TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES | VELA PHARMACEUTICALS, INC. (US) | 2004-06-17 | — | — | WO | disclosed |