Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | HPGD | P15428 | 4/20 | 0.74 |
| ▸ | MAPT | P10636 | 4/20 | 0.74 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.58 |
| ▸ | MLYCD | O95822 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003735 | 0.89 | TP53 (0.68) | ALDH1A1HPGDMAPTGAATP53 | |
| SCHEMBL9694832 | 0.87 | MLYCD (0.72) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL4444933 | 0.85 | HPGD (1.00) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL12497385 | 0.85 | HPGD (0.57) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL26314066 | 0.83 | MLYCD (0.64) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL6139869 | 0.82 | TP53 (0.51) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL4167802 | 0.82 | TP53 (0.59) | ALDH1A1HPGDMAPTGAATP53 | |
| SCHEMBL5166929 | 0.81 | HPGD (0.68) | ALDH1A1HPGDMAPTGAAL3MBTL1 | |
| SCHEMBL7055563 | 0.80 | DHODH (0.56) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL4489409 | 0.79 | MLYCD (0.64) | ALDH1A1HPGDGAATP53GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |