Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22747833 | 0.86 | FOLH1 (0.41) | CYP2A13ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL22760360 | 0.83 | MAPT (0.47) | ALDH1A1GAAMAPTLMNANPSR1 | |
| SCHEMBL22760486 | 0.76 | FOLH1 (0.43) | ALDH1A1KDM4EGAAMAPTLMNA | |
| SCHEMBL22748245 | 0.75 | FOLH1 (0.42) | ALDH1A1KDM4EGAAMAPTCYP2C9 | |
| SCHEMBL22748283 | 0.75 | FOLH1 (0.42) | ALDH1A1KDM4EGAAMAPTCYP2C9 | |
| SCHEMBL22747841 | 0.74 | MAPK8 (0.52) | CYP2A13ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL22760122 | 0.74 | MAPT (0.49) | ALDH1A1KDM4EGAAMAPTLMNA | |
| SCHEMBL22760554 | 0.73 | FOLH1 (0.40) | ALDH1A1KDM4EGAAMAPTCYP1A2 | |
| SCHEMBL22747897 | 0.73 | FOLH1 (0.40) | ALDH1A1KDM4EGAAMAPTCYP1A2 | |
| SCHEMBL22760555 | 0.72 | FOLH1 (0.39) | ALDH1A1KDM4EGAAMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |