Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9620819 | 1.00 | CYP2A6 (0.53) | CYP2A6MAOAMAOBGRIA1GRIA2 | |
| SCHEMBL9621222 | 0.92 | MAOA (0.50) | CYP2A6MAOAMAOBGRIA1GRIA2 | |
| SCHEMBL9621225 | 0.92 | MAOA (0.50) | CYP2A6MAOAMAOBGRIA1GRIA2 | |
| SCHEMBL9620652 | 0.89 | SPHK1 (0.50) | MAOAMAOBMEN1KMT2AMAPK1 | |
| SCHEMBL9620655 | 0.89 | SPHK1 (0.50) | MAOAMAOBMEN1KMT2AMAPK1 | |
| SCHEMBL11520134 | 0.88 | CYP2A6 (0.68) | CYP2A6GRIA1GRIA2GRIA3MEN1 | |
| SCHEMBL11520139 | 0.88 | CYP2A6 (0.68) | CYP2A6GRIA1GRIA2GRIA3MEN1 | |
| SCHEMBL9621056 | 0.88 | TSHR (0.56) | MAOAMAOBSPHK1HSD17B10TSHR | |
| SCHEMBL9621053 | 0.88 | TSHR (0.56) | MAOAMAOBSPHK1HSD17B10TSHR | |
| SCHEMBL10725313 | 0.88 | SPHK1 (0.49) | MAOAMAOBMEN1KMT2AMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0283490-B1 | PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-01-08 | — | — | EP | disclosed |
| EP-0283490-A1 | PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1988-09-28 | — | — | EP | disclosed |
| WO-1988002364-A2 | PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-04-07 | — | — | WO | disclosed |