Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27379002 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRHIF1ACYP2C19HDAC3 | |
| Hydrochloric Acid SCHEMBL29114539 | 0.77 | CHRM2 (0.37) | ALDH1A1TSHRCYP2C19KIF11MAPT | |
| Fumaric Acid SCHEMBL27677462 | 0.76 | CYP2C19 (0.41) | ALDH1A1HIF1ACYP2C19HDAC3HDAC4 | |
| Maleic Acid SCHEMBL27919859 | 0.76 | CYP2C19 (0.41) | ALDH1A1HIF1ACYP2C19HDAC3HDAC4 | |
| SCHEMBL9767970 | 0.75 | KCNN4 (0.38) | ALDH1A1TSHRHIF1ACYP2C19HTT | |
| SCHEMBL3144359 | 0.75 | HDAC3 (0.47) | ALDH1A1TSHRHIF1ACYP2C19HDAC3 | |
| SCHEMBL28288945 | 0.75 | HDAC3 (0.47) | ALDH1A1TSHRHIF1ACYP2C19HDAC3 | |
| SCHEMBL27364970 | 0.75 | HDAC3 (0.47) | ALDH1A1TSHRHIF1ACYP2C19HDAC3 | |
| SCHEMBL1148767 | 0.74 | KCNN4 (0.40) | ALDH1A1TSHRHIF1ACYP2C19HDAC1 | |
| SCHEMBL10603230 | 0.74 | HDAC3 (0.46) | ALDH1A1TSHRHIF1ACYP2C19HDAC3 |
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-0780386-B1 | Matrix metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| EP-0780386-A1 | Matrix metalloprotease inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-25 | — | — | EP | disclosed |