Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14086327 | 0.87 | AKR1C3 (0.43) | AKR1C3AKR1C2CYP1A2CYP2A6ELANE | |
| SCHEMBL20178504 | 0.85 | ABL1 (0.39) | AKR1C3AKR1C2NPC1RAB9ANFKB1 | |
| SCHEMBL803417 | 0.80 | CYP1A2 (0.50) | AKR1C3AKR1C2CYP1A2CYP2A6ELANE | |
| SCHEMBL11322091 | 0.80 | OGA (0.40) | CYP1A2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7994356 | 0.80 | GAA (0.44) | AKR1C3AKR1C2MEN1ALDH1A1KMT2A | |
| SCHEMBL20049323 | 0.80 | AKR1C3 (0.40) | AKR1C3AKR1C2CYP1A2CYP2A6NPC1 | |
| SCHEMBL22956861 | 0.79 | PIK3CD (0.41) | AKR1C3AKR1C2CYP1A2CYP2A6NPC1 | |
| SCHEMBL22134831 | 0.79 | CYP1A2 (0.42) | AKR1C3AKR1C2CYP1A2CYP2A6ELANE | |
| SCHEMBL23906417 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2A6ELANENPC1RAB9A | |
| SCHEMBL2667927 | 0.77 | ALDH1A1 (0.47) | CYP1A2CYP2A6ALDH1A1KMT2APDE10A |
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 |