Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600304 | 0.74 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNAHSD17B10ALOX15 | |
| SCHEMBL1083111 | 0.68 | ALDH1A1 (0.41) | ALDH1A1KDM4EPKMCYP4F2CYP4A11 | |
| SCHEMBL5679836 | 0.65 | PTGS1 (0.43) | ALDH1A1KDM4EPKMCYP4F2CYP4A11 | |
| SCHEMBL27653300 | 0.65 | ALDH1A1 (0.39) | ALDH1A1KDM4EPKMCYP4F2CYP4A11 | |
| SCHEMBL6670659 | 0.65 | PTGS1 (0.43) | ALDH1A1KDM4EPKMCYP4F2CYP4A11 | |
| SCHEMBL8920368 | 0.65 | — | — | |
| SCHEMBL14028081 | 0.65 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL1562108 | 0.65 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10ALOX15MGAM | |
| SCHEMBL20569154 | 0.64 | ALDH1A1 (0.42) | ALDH1A1PKMCYP4F2CYP4A11LMNA | |
| SCHEMBL13070248 | 0.64 | ALDH1A1 (0.42) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 |
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-2252598-A2 | 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-11-24 | — | — | EP | claimed |
| WO-2009102428-A2 | 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-08-20 | — | — | WO | claimed |