Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.36 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13603087 | 1.00 | KDM4E (0.38) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13603084 | 0.97 | KDM4E (0.39) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13610711 | 0.97 | KDM4E (0.39) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13600602 | 0.92 | IL1B (0.40) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13607394 | 0.92 | IL1B (0.40) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13610957 | 0.90 | KDM4E (0.38) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13603089 | 0.90 | KDM4E (0.38) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13607545 | 0.87 | IL1B (0.39) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13600607 | 0.87 | IL1B (0.39) | KDM4EPKMDRD2HTR3EHTR3B | |
| SCHEMBL13610955 | 0.86 | KDM4E (0.39) | KDM4EPKMDRD2HTR3EHTR3B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7638535-B2 | (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-12-29 | — | — | US | disclosed |