Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25664590 | 0.83 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL2713812 | 0.71 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1004361 | 0.71 | — | — | |
| SCHEMBL24787159 | 0.70 | KDM4E (0.34) | ALDH1A1KDM4EMEN1KMT2ATSHR | |
| SCHEMBL14032484 | 0.69 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL509543 | 0.68 | CYP2A6 (0.35) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL509853 | 0.68 | THRB (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4175069 | 0.65 | KDM4E (0.33) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL8149466 | 0.65 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL12566682 | 0.65 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010138720-A9 | COMPOUNDS AND METHODS FOR CHELATING METALS IN AQUEOUS SOLUTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-04-07 | — | — | WO | disclosed |
| WO-2010138720-A2 | COMPOUNDS AND METHODS FOR CHELATING METALS IN AQUEOUS SOLUTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-12-02 | — | — | WO | disclosed |