Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1319676 | 0.82 | ALDH2 (0.53) | ALDH2ELANEKDM4ETHRBALDH1A1 | |
| SCHEMBL27853379 | 0.76 | ELANE (0.48) | ALDH2ELANEKDM4EMAPTESR2 | |
| SCHEMBL4958377 | 0.70 | ALDH2 (0.38) | ALDH2ELANEKDM4ETHRBALDH1A1 | |
| SCHEMBL5569384 | 0.70 | ELANE (0.39) | ELANEKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL16232926 | 0.68 | TSHR (0.41) | KDM4ETHRBALDH1A1MAPTGAA | |
| SCHEMBL8310282 | 0.68 | CDK9 (0.35) | ALDH2ELANEKDM4ETHRBALDH1A1 | |
| SCHEMBL28212306 | 0.65 | L3MBTL1 (0.51) | KDM4EALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL24684613 | 0.65 | CLK2 (0.78) | KDM4EALDH1A1HSD17B10MAPTGAA | |
| SCHEMBL25768716 | 0.65 | CLK2 (0.61) | ELANEKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL10637081 | 0.64 | HSD17B3 (0.69) | KDM4ETHRBALDH1A1HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20030038941-A1 | Method for the rapid determination of the optical quality of combinatorial libraries | GENERAL ELECTRIC COMPANY | 2003-02-27 | — | — | US | disclosed |