Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27651930 | 0.81 | KIF11 (0.50) | EPHX2CES2CES1ALDH1A1IDO1 | |
| SCHEMBL7536726 | 0.76 | HPGD (0.35) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL7536730 | 0.76 | ALDH1A1 (0.48) | ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL19311702 | 0.76 | TDP1 (0.48) | CES2CES1ALDH1A1LMNAADORA3 | |
| SCHEMBL24713130 | 0.75 | EPHX2 (0.58) | EPHX2LMNAHTTTRPV1 | |
| SCHEMBL28037693 | 0.75 | TEAD1 (0.43) | CES2CES1ALDH1A1LMNAHTT | |
| SCHEMBL10431593 | 0.74 | MTNR1A (0.48) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL26679563 | 0.73 | KIF11 (0.46) | EPHX2CES2CES1ALDH1A1KIF11 | |
| SCHEMBL669442 | 0.71 | EPHX2 (0.70) | EPHX2ALDH1A1LMNAHTTIDO1 | |
| Hydrochloric Acid SCHEMBL28845768 | 0.71 | MTNR1A (0.47) | ALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017201155-A1 | lSOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2017-11-23 | — | — | WO | disclosed |