Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21411461 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPTGAAHTTCYP3A4 | |
| SCHEMBL2484547 | 0.81 | SMN1; SMN2 (0.59) | ALDH1A1GAASMN1; SMN2POLBHTT | |
| SCHEMBL28250542 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTGAASMN1; SMN2POLB | |
| SCHEMBL4487969 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL28249805 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPTGAASMN1; SMN2POLB | |
| SCHEMBL28865651 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL27498733 | 0.74 | — | — | |
| SCHEMBL4071532 | 0.74 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2POLBHTTCYP3A4 | |
| SCHEMBL28872292 | 0.74 | ALDH1A1 (0.38) | ALDH1A1MAPTGAASMN1; SMN2POLB | |
| SCHEMBL28814029 | 0.74 | HPGD (0.55) | ALDH1A1MAPTSMN1; SMN2HPGD |
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-111592534-A | Novel compounds | 特殊治疗有限公司 | 2020-08-28 | — | — | CN | disclosed |