Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | LMNA | P02545 | 6/20 | 0.71 |
| ▸ | HPGD | P15428 | 5/20 | 0.71 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 9/20 | 0.63 |
| ▸ | PHGDH | O43175 | 5/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13611583 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL13886802 | 0.87 | MAPT (0.67) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL4457842 | 0.87 | MAPT (0.67) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL20115490 | 0.84 | ALDH1A1 (0.68) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL21292759 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL4324519 | 0.82 | MAPT (0.81) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL4324521 | 0.82 | MAPT (0.81) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL21292670 | 0.81 | PHGDH (0.80) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL13886804 | 0.81 | MAPT (0.58) | ALDH1A1LMNAHPGDALOX12MAPT | |
| SCHEMBL4455860 | 0.81 | PHGDH (0.77) | ALDH1A1LMNAHPGDALOX12MAPT |
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-7521062-B2 | Thiosemicarbazones as anti-virals and immunopotentiators | NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) | 2009-04-21 | — | — | US | disclosed |