Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL10458255 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MMP9ATMKMT2AHTT | |
| SCHEMBL11387657 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MMP9ATMKMT2AEPHX2 | |
| SCHEMBL5895663 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MMP9ATMEPHX2HTT | |
| SCHEMBL10458826 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MMP9MMP2MMP12ATM | |
| SCHEMBL13169359 | 0.70 | ALDH1A1 (0.49) | ALDH1A1MMP9MMP2MMP12ATM | |
| SCHEMBL11796090 | 0.70 | ALDH1A1 (0.37) | ALDH1A1MMP9ATMKMT2AEPHX2 | |
| SCHEMBL5895627 | 0.70 | ALDH1A1 (0.49) | ALDH1A1MMP9MMP2MMP12ATM | |
| SCHEMBL11388720 | 0.69 | MIF (0.43) | ALDH1A1MMP9ATMMMP1NPC1 | |
| SCHEMBL11795802 | 0.68 | ALDH1A1 (0.50) | ALDH1A1MMP9MMP2MMP12ATM | |
| SCHEMBL29009279 | 0.68 | ALDH1A1 (0.53) | ALDH1A1MMP9MMP2MMP12ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-4957912-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4226866-A | BACTERICIDES, ACYLATION | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |