Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | GRM8 | O00222 | 1/20 | 0.52 |
| ▸ | GRM6 | O15303 | 1/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227635 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTTDP1CRHBP | |
| SCHEMBL21301764 | 0.85 | MAPT (0.56) | ALDH1A1MAPTCRHBPCRHR2L3MBTL1 | |
| SCHEMBL11016123 | 0.83 | MAPT (0.68) | ALDH1A1KDM4EMAPTTDP1CRHBP | |
| SCHEMBL27882210 | 0.82 | MAPT (0.56) | ALDH1A1KDM4EMAPTTDP1CRHBP | |
| SCHEMBL5082944 | 0.79 | LTA4H (0.53) | ALDH1A1TDP1 | |
| SCHEMBL9090603 | 0.79 | LTA4H (0.53) | ALDH1A1TDP1 | |
| SCHEMBL5082950 | 0.79 | LTA4H (0.53) | ALDH1A1TDP1 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL9840949 | 0.79 | KMT2A (0.51) | ALDH1A1KDM4EMAPTGRM8GRM6 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL9840960 | 0.79 | KMT2A (0.51) | ALDH1A1KDM4EMAPTGRM8GRM6 | |
| SCHEMBL5324639 | 0.79 | MAPT (0.47) | ALDH1A1KDM4EMAPTTDP1CRHBP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101171039-B | Enzyme and receptor modulation | CHROMA THERAPEUTICS LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-101171039-A | Enzyme and receptor modulation | CHROMA THERAPEUTICS LTD (GB) | 2008-04-30 | — | — | CN | disclosed |