Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 2/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9519585 | 1.00 | PAM (0.53) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL9518811 | 0.98 | PAM (0.55) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL9518796 | 0.91 | MMP1 (0.54) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL28158105 | 0.85 | MMP1 (0.49) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL5799253 | 0.85 | MMP1 (0.49) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL5799249 | 0.85 | MMP1 (0.49) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL27509127 | 0.84 | MMP1 (0.54) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL9519594 | 0.84 | MMP1 (0.48) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL11887818 | 0.83 | PAM (0.53) | PAMMMP1MMP2MMP9MMP12 | |
| SCHEMBL28145343 | 0.83 | MMP1 (0.50) | PAMMMP1MMP2MMP9MMP12 |
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-0300657-B1 | 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |
| EP-0300657-A2 | 4-substituted 3-oxobutanoate ester derivatives | MERCK & CO. INC. (US) | 1989-01-25 | — | — | EP | disclosed |