Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GRM8 | O00222 | 1/20 | 0.40 |
| ▸ | GRM6 | O15303 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5131645 | 0.76 | AKR1C3 (0.41) | ALDH1A1KDM4EHPGDNPC1GRM8 | |
| SCHEMBL10590248 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDNPC1MEN1 | |
| SCHEMBL9160028 | 0.69 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDNPC1GRM8 | |
| SCHEMBL5131636 | 0.68 | ALDH1A1 (0.40) | ALDH1A1HPGDNPC1GRM8GRM6 | |
| SCHEMBL2234350 | 0.68 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDNPC1MEN1 | |
| SCHEMBL426201 | 0.67 | HSD17B10 (0.44) | ALDH1A1KDM4EMAPTTSHRMAPK1 | |
| SCHEMBL7860154 | 0.67 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPC1GRM8GRM6 | |
| Acetic Acid SCHEMBL27296106 | 0.67 | NPC1 (0.50) | ALDH1A1KDM4ENPC1GRM8GRM6 | |
| SCHEMBL2628065 | 0.67 | TDP1 (0.52) | ALDH1A1KDM4ENPC1GRM8GRM6 | |
| SCHEMBL5201413 | 0.67 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1GRM8GRM6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1942949-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | Therapharm GmbH (CH) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007028639-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | THERAPHARM GMBH (CH) | 2007-03-15 | — | — | WO | disclosed |