Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7017888 | 0.92 | TP53 (0.47) | HDAC1HDAC6HDAC4TP53MAPT | |
| SCHEMBL7015809 | 0.85 | HDAC6 (0.48) | HDAC1HDAC6HDAC4TP53MAPT | |
| SCHEMBL7010029 | 0.84 | TP53 (0.36) | HDAC1HDAC6HDAC4TP53MAPT | |
| SCHEMBL7014404 | 0.84 | TP53 (0.46) | HDAC1HDAC6HDAC4TP53MAPT | |
| SCHEMBL7016306 | 0.83 | TP53 (0.35) | HDAC1HDAC6HDAC4TP53MAPT | |
| SCHEMBL7016308 | 0.83 | CYP19A1 (0.39) | TP53MAPTCYP19A1RXFP1TSHR | |
| SCHEMBL7019303 | 0.82 | TP53 (0.46) | HDAC1HDAC6HDAC4TP53MAPT | |
| Hydrochloric Acid SCHEMBL7012709 | 0.80 | SRC (0.37) | HDAC1HDAC6HDAC4TP53MAPT | |
| Hydrochloric Acid SCHEMBL7012711 | 0.80 | PSMB1 (0.49) | MAPTTHRBKDM4EALDH1A1TSHR | |
| SCHEMBL7018715 | 0.80 | TP53 (0.48) | HDAC1HDAC6HDAC4TP53MAPT |
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 |