Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8718329 | 0.95 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDCYP3A4GAA | |
| Hydrochloric Acid SCHEMBL7872294 | 0.94 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDCYP3A4GAA | |
| SCHEMBL7871653 | 0.91 | PDE5A (0.37) | ALDH1A1KDM4EHPGDCYP3A4GAA | |
| Hydrochloric Acid SCHEMBL7872363 | 0.90 | PDE5A (0.36) | ALDH1A1KDM4EHPGDCYP3A4GAA | |
| SCHEMBL8716559 | 0.85 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDCYP3A4GAA | |
| SCHEMBL8713586 | 0.83 | KDM1A (0.35) | ALDH1A1CNR2TSHRNPY1RHTR1A | |
| SCHEMBL7871549 | 0.82 | USP1 (0.33) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8713342 | 0.81 | DRD2 (0.34) | ALDH1A1KDM4EHPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL8716168 | 0.80 | NPY1R (0.40) | NPY1RHTT | |
| SCHEMBL8712463 | 0.79 | GPR119 (0.43) | KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0826686-A2 | Tricyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | disclosed |