Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406723 | 1.00 | CYP1A2 (0.48) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9647670 | 1.00 | CYP1A2 (0.48) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406692 | 0.94 | ALDH1A1 (0.43) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406683 | 0.94 | ALDH1A1 (0.43) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406588 | 0.94 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406581 | 0.94 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406952 | 0.92 | ALDH1A1 (0.48) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9406961 | 0.92 | ALDH1A1 (0.48) | CYP1A2SMN1; SMN2LMNAMAPK1HTT | |
| SCHEMBL9645379 | 0.92 | SMN1; SMN2 (0.39) | CYP1A2SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL9645385 | 0.92 | SMN1; SMN2 (0.39) | CYP1A2SMN1; SMN2ALDH1A1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0361532-B1 | Ethane derivatives | MERCK PATENT GMBH (DE) | 1994-04-06 | — | — | EP | claimed |
| EP-0361532-B1 | Ethane derivatives | MERCK PATENT GMBH (DE) | 1994-04-06 | — | — | EP | disclosed |
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0361532-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |