Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.43 |
| ▸ | NRAS | P01111 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 6/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | CCNH | P51946 | 2/20 | 0.40 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23360645 | 0.99 | CYP1A2 (0.43) | CYP1A2CYP2C19HSD17B10USP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23360061 | 0.99 | CYP1A2 (0.43) | CYP1A2CYP2C19HSD17B10USP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23360059 | 0.99 | CYP1A2 (0.43) | CYP1A2CYP2C19HSD17B10USP2ALDH1A1 | |
| SCHEMBL29863211 | 0.84 | ALDH1A1 (0.45) | CYP1A2HSD17B10ALDH1A1CLK4CHEK2 | |
| SCHEMBL29863329 | 0.84 | ALDH1A1 (0.45) | CYP1A2HSD17B10ALDH1A1CLK4CHEK2 | |
| Hydrochloric Acid SCHEMBL23360114 | 0.83 | ALDH1A1 (0.44) | CYP1A2HSD17B10ALDH1A1CHEK2CHEK1 | |
| Hydrochloric Acid SCHEMBL23360671 | 0.83 | ALDH1A1 (0.44) | CYP1A2HSD17B10ALDH1A1CHEK2CHEK1 | |
| Hydrochloric Acid SCHEMBL23360116 | 0.83 | ALDH1A1 (0.44) | CYP1A2HSD17B10ALDH1A1CHEK2CHEK1 | |
| Hydrochloric Acid SCHEMBL23359905 | 0.81 | CHEK2 (0.39) | CYP1A2CLK4CHEK2CHEK1CDK7 | |
| Hydrochloric Acid SCHEMBL23360579 | 0.81 | CHEK2 (0.39) | CYP1A2CLK4CHEK2CHEK1CDK7 |
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-114867719-A | Pyrrolidine and piperidine compounds | 柳韩洋行 | 2022-08-05 | — | — | CN | disclosed |