Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5728511 | 0.74 | ESR1 (0.42) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL7846360 | 0.73 | PPARD (0.33) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL7857171 | 0.71 | BRD4 (0.37) | BRD4 | |
| SCHEMBL6772444 | 0.70 | TRIM24 (0.47) | ALDH1A1MEN1KMT2AMAPTNPC1 | |
| SCHEMBL5729553 | 0.69 | ESR1 (0.53) | ALDH1A1MEN1KMT2AMAPTESR1 | |
| SCHEMBL5728506 | 0.68 | ESR1 (0.43) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL7846866 | 0.68 | ERN1 (0.41) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL7859366 | 0.68 | PTGS2 (0.41) | ALDH1A1PTGS2 | |
| SCHEMBL5729486 | 0.67 | ESR1 (0.47) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL2723550 | 0.65 | NPC1 (0.51) | MEN1KMT2AMAPTSMN1; SMN2NPC1 |
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-1102755-A1 | SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS | CHIRON CORPORATION (US) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008001-A1 | SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS | CHIRON CORPORATION (US) | 2000-02-17 | — | — | WO | disclosed |