Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PMM2 | O15305 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2876503 | 0.85 | ADRB1 (0.59) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL5743752 | 0.83 | ALDH1A1 (0.66) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL14562466 | 0.81 | GAA (0.57) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL29641479 | 0.81 | GAA (0.57) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL4203044 | 0.81 | ALDH1A1 (0.64) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL14562471 | 0.80 | GAA (0.56) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL1490676 | 0.80 | PLOD2 (0.60) | TP53GAAALDH1A1HPGDLMNA | |
| SCHEMBL29641404 | 0.80 | GAA (0.56) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL10145134 | 0.79 | GAA (0.54) | TP53GAAALDH1A1HPGDMAPT | |
| SCHEMBL4250883 | 0.79 | KMO (0.68) | TP53GAAALDH1A1HPGDMAPT |
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-2018067704-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |