Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | ANPEP | P15144 | 2/20 | 0.45 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
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 | 0.87 | ALDH1A1 (0.47) | ALDH1A1LDHAHTTMAPTIDO1 | |
| SCHEMBL31244589 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KMT2A | |
| SCHEMBL10458767 | 0.82 | CA1 (0.41) | ALDH1A1LDHAHTTMAPTANPEP | |
| SCHEMBL10458677 | 0.81 | AKR1C3 (0.50) | ALDH1A1HTTMAPTIDO1NPC1 | |
| SCHEMBL28049332 | 0.80 | SLC6A4 (0.53) | ALDH1A1LDHAHTTMAPTIDO1 | |
| SCHEMBL7694064 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LDHAHTTMAPTATM | |
| SCHEMBL11802708 | 0.78 | ALDH1A1 (0.49) | ALDH1A1LDHAHTTMAPTATM | |
| SCHEMBL11804852 | 0.78 | ALDH1A1 (0.43) | ALDH1A1LDHAHTTMAPTIDO1 | |
| SCHEMBL29748635 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LDHAHTTMAPTIDO1 | |
| SCHEMBL28888054 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LDHAHTTMAPTIDO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3962224-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |