Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.45 |
| ▸ | NPY2R | P49146 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL10672874 | 0.97 | KDM4E (0.50) | ALDH1A1KDM4EHPGDCHRM4CHRM5 | |
| Oxalic Acid SCHEMBL10372028 | 0.97 | KDM4E (0.50) | ALDH1A1KDM4EHPGDCHRM4CHRM5 | |
| SCHEMBL10369009 | 0.90 | IRAK4 (0.55) | ALDH1A1HPGDCHRM4CHRM5CHRM1 | |
| SCHEMBL10369755 | 0.83 | CHRM3 (0.55) | ALDH1A1KDM4ECHRM4CHRM5CHRM1 | |
| SCHEMBL10372030 | 0.78 | DRD2 (0.37) | KDM4ECHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10370921 | 0.77 | KCNH2 (0.52) | KDM4ECHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL15057563 | 0.76 | KDM4E (0.60) | ALDH1A1KDM4ECHRM4CHRM5CHRM1 | |
| SCHEMBL477819 | 0.76 | LIPG (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL477818 | 0.76 | LIPG (0.54) | ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL10568167 | 0.76 | IKBKB (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0107930-B1 | FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1990-11-28 | — | — | EP | claimed |
| EP-0107930-A2 | Fused aromatic oxazepinones and sulphur analogues thereof and their preparation and use in counteracting histamine | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1984-05-09 | — | — | EP | claimed |