Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24316289 | 0.73 | CYP2C19 (0.46) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL26620702 | 0.73 | CYP2C19 (0.48) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL9504585 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL2681260 | 0.71 | TSHR (0.55) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL21742125 | 0.70 | KCNA5 (0.51) | ALDH1A1CYP1A2KCNA5TSHRCYP2C19 | |
| Iodide SCHEMBL11358945 | 0.69 | ALDH1A1 (0.47) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL21742145 | 0.68 | TSHR (0.51) | ALDH1A1CYP1A2KCNA5TSHRCYP2C19 | |
| Propionic Acid SCHEMBL27927616 | 0.68 | CYP1A2 (0.55) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL28762519 | 0.67 | ALDH1A1 (0.62) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA | |
| SCHEMBL13619600 | 0.67 | MEN1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2MEN1GAA |
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-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |