Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 7/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7012890 | 0.88 | TP53 (0.60) | TP53KMT2AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL7010698 | 0.78 | TP53 (0.51) | TP53KMT2AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL7014540 | 0.74 | DRD2 (0.52) | TP53KMT2AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL7013837 | 0.72 | KMT2A (0.40) | TP53KMT2AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL7017363 | 0.71 | MAOA (0.46) | TP53KMT2AALDH1A1MAPTTHRB | |
| SCHEMBL7012539 | 0.71 | KMT2A (0.44) | TP53KMT2AALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL7014308 | 0.71 | DRD2 (0.59) | TP53KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL7011645 | 0.71 | ALDH1A1 (0.58) | TP53KMT2AALDH1A1MAPTTHRB | |
| SCHEMBL7016571 | 0.69 | MAOA (0.54) | TP53KMT2AALDH1A1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL7012516 | 0.69 | HRH3 (0.49) | KMT2AALDH1A1SMN1; SMN2L3MBTL1MEN1 |
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 |