Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9406577 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS | |
| SCHEMBL9406716 | 0.96 | SMN1; SMN2 (0.47) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS | |
| SCHEMBL9406722 | 0.96 | SMN1; SMN2 (0.47) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS | |
| SCHEMBL9406952 | 0.96 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2SMN1; SMN2HTT | |
| SCHEMBL9406961 | 0.96 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2SMN1; SMN2HTT | |
| SCHEMBL9406692 | 0.94 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS | |
| SCHEMBL9406683 | 0.94 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS | |
| SCHEMBL9406675 | 0.92 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2SMN1; SMN2SPHK2 | |
| SCHEMBL9406681 | 0.92 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP1A2SMN1; SMN2SPHK2 | |
| SCHEMBL9406725 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP1A2SMN1; SMN2LSS |
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-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 |
| EP-0361532-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |