Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 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 | |
|---|---|---|---|---|
| SCHEMBL7419391 | 0.84 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL31722182 | 0.84 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL1985402 | 0.84 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL24202473 | 0.84 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| Hydrochloric Acid SCHEMBL10520152 | 0.83 | ALDH1A1 (0.60) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL6159831 | 0.81 | CRHBP (0.54) | ALDH1A1GAAMAPTMEN1KMT2A | |
| SCHEMBL11197769 | 0.76 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL11197771 | 0.76 | ALDH1A1 (0.62) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL3267559 | 0.76 | GAA (0.69) | ALDH1A1GAAMAPTPOLBMEN1 | |
| SCHEMBL1653800 | 0.75 | ALDH1A1 (0.54) | ALDH1A1MAPTPOLBMEN1KMT2A |
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-111808079-A | Indole ASK1 small molecule inhibitor and preparation method and application thereof | 中国药科大学 | 2020-10-23 | — | — | CN | disclosed |