Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9527107 | 0.86 | TSHR (0.48) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL9446231 | 0.78 | ALDH1A1 (0.49) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL20027632 | 0.77 | ALDH1A1 (0.51) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL2775305 | 0.76 | ALDH1A1 (0.58) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL14710756 | 0.75 | ALDH1A1 (0.52) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL9446167 | 0.75 | ALDH1A1 (0.52) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL9446166 | 0.74 | TSHR (0.48) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL6768686 | 0.73 | ALDH1A1 (0.57) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL15525136 | 0.73 | ALDH1A1 (0.55) | ALDH1A1PKMKDM4EPOLBTSHR | |
| SCHEMBL7597954 | 0.73 | ALDH1A1 (0.51) | ALDH1A1PKMKDM4EPOLBTSHR |
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-0337263-B1 | ISOXAZOL(ISOTHIAZOLS)-5-CARBOXAMIDES | BASF Aktiengesellschaft (DE) | 1993-03-17 | — | — | EP | disclosed |
| EP-0337263-A2 | Isoxazol(isothiazols)-5-carboxamides | BASF Aktiengesellschaft (DE) | 1989-10-18 | — | — | EP | disclosed |