Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | CTSV | O60911 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403472 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL30203403 | 0.90 | ALDH1A1 (0.56) | ALDH1A1HTTLMNATDP1MAPT | |
| Methane SCHEMBL27588822 | 0.89 | ALDH1A1 (0.54) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL8423567 | 0.86 | MAPT (0.60) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL8423562 | 0.86 | MAPT (0.60) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL25336874 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL16951683 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL10694655 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL12494510 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HTTLMNATDP1MAPT | |
| SCHEMBL222270 | 0.83 | TDP1 (0.67) | ALDH1A1HTTTDP1MAPTGAA |
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-4138589-A | CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS | MALLINCKRODT, INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4069250-A | X-RAY CONTRAST AGENTS | MALLINCKRODT, INC. (US) | 1978-01-17 | — | — | US | disclosed |