Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7010831 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ADORA2BSMN1; SMN2NPSR1 | |
| SCHEMBL7018141 | 0.79 | MAPK1 (0.40) | ALDH1A1MAPTLMNAKDM4EMEN1 | |
| SCHEMBL13257531 | 0.70 | LMNA (0.44) | ALDH1A1LMNAKDM4ESMN1; SMN2POLB | |
| SCHEMBL7015802 | 0.69 | NEK1 (0.39) | ALDH1A1HTTNEK1JAK2JAK1 | |
| SCHEMBL7008875 | 0.68 | TP53 (0.42) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL13863953 | 0.67 | ALDH1A1 (0.73) | ALDH1A1ADORA2BMAPTKDM4ETDP1 | |
| SCHEMBL2564399 | 0.65 | FADS1 (0.48) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL2570522 | 0.64 | POLB (0.48) | ALDH1A1LMNAMEN1KMT2APOLB | |
| SCHEMBL3829770 | 0.64 | TSHR (0.64) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL13266383 | 0.64 | TP53 (0.35) | LMNAPOLB |
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-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |