Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28020302 | 0.91 | EPHX2 (0.61) | ALDH1A1SMN1; SMN2EPHX2ITGB1ITGA4 | |
| SCHEMBL28020308 | 0.89 | PTGDR2 (0.50) | ALDH1A1SMN1; SMN2KMT2AMEN1HDAC1 | |
| SCHEMBL28020698 | 0.87 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2EPHX2KMT2AMEN1 | |
| SCHEMBL28020363 | 0.83 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2EPHX2KMT2AMEN1 | |
| SCHEMBL28020305 | 0.77 | EPHX2 (0.58) | ALDH1A1SMN1; SMN2EPHX2KMT2AHDAC1 | |
| SCHEMBL28020357 | 0.77 | BCHE (0.68) | ALDH1A1SMN1; SMN2EPHX2KMT2AMEN1 | |
| SCHEMBL28020740 | 0.73 | MEN1 (0.62) | ALDH1A1KMT2AMEN1HDAC1HDAC2 | |
| SCHEMBL12011000 | 0.72 | ALDH1A1 (0.77) | ALDH1A1EPHX2KMT2AMEN1HTT | |
| SCHEMBL5700894 | 0.70 | ITGB1 (0.72) | ALDH1A1EPHX2ITGB1ITGA4KMT2A | |
| SCHEMBL29944814 | 0.70 | ROCK2 (0.64) | ALDH1A1SMN1; SMN2KMT2AMEN1HDAC1 |
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-102775381-B | Substituted hydrazide compound, and its preparation method, medicinal compositions and application | SHANGHAI INST MATERIA MEDICA | 2015-05-20 | — | — | CN | disclosed |