Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | NQO2 | P16083 | 3/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7398883 | 0.84 | KDM4E (0.58) | KDM4EALDH1A1ABL1GAANQO2 | |
| SCHEMBL14810489 | 0.82 | HTR4 (0.58) | KDM4EALDH1A1ABL1GAANQO2 | |
| SCHEMBL19723019 | 0.81 | KDM4E (0.43) | KDM4EALDH1A1ABL1GAAHTR4 | |
| SCHEMBL15323760 | 0.81 | KDM4E (0.54) | KDM4EALDH1A1ABL1GAAHTR4 | |
| SCHEMBL13315460 | 0.79 | ALDH1A1 (0.41) | KDM4EALDH1A1ABL1GAANQO2 | |
| SCHEMBL15324655 | 0.77 | KDM4E (0.50) | KDM4EALDH1A1ABL1GAAHTR4 | |
| SCHEMBL13385019 | 0.77 | PDGFRB (0.43) | KDM4EALDH1A1HTR4MAPTLMNA | |
| SCHEMBL30507871 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1ABL1GAAHTR4 | |
| SCHEMBL29054678 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1ABL1GAAHTR4 | |
| SCHEMBL7402316 | 0.76 | ALDH1A1 (0.55) | KDM4EALDH1A1ABL1GAAHTR4 |
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 2 patents. 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 |
| 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 |