Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNA4 | P22459 | 1/20 | 0.33 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.33 |
| ▸ | KCNAB1 | Q14722 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28134886 | 0.80 | CYP2C19 (0.45) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL11380928 | 0.78 | CYP2C19 (0.39) | CYP2C19KMT2ASLC6A2SLC6A3 | |
| SCHEMBL366283 | 0.74 | CYP2C19 (0.62) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL490963 | 0.71 | CYP2C19 (0.46) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL2045490 | 0.70 | MEN1 (0.58) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL733501 | 0.70 | CYP2C19 (0.58) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL11515285 | 0.69 | MEN1 (0.56) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL11512989 | 0.69 | MEN1 (0.56) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| Biphenyl SCHEMBL28725381 | 0.69 | MEN1 (0.56) | CYP2C19MEN1KMT2ATSHRKCNA4 | |
| SCHEMBL9174680 | 0.68 | TSHR (0.46) | CYP2C19MEN1KMT2ATSHRSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4292246-A | ISOMERIZATION OF A 4,5-DIHYDRO-1,3-DIOXEPINE BY HEATING WITH CATALYTIC O-TOLUIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-29 | — | — | US | disclosed |
| EP-0013893-A1 | Process for the preparation of tetrahydrofuran-3-aldehydes | BAYER AG (DE) | 1980-08-06 | — | — | EP | disclosed |