Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.41 |
| ▸ | NQO1 | P15559 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13339999 | 0.89 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL13367221 | 0.79 | TSHR (0.63) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL17980868 | 0.72 | TSHR (0.44) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL4961489 | 0.71 | NQO1 (0.55) | ALDH1A1KMT2AMEN1POLBLMNA | |
| SCHEMBL4962302 | 0.71 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL8945595 | 0.69 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL5802208 | 0.69 | KDM4E (0.61) | ALDH1A1KDM4EGAALMNATSHR | |
| SCHEMBL3424497 | 0.69 | TSHR (0.66) | ALDH1A1KMT2AMEN1POLBKDM4E | |
| SCHEMBL16925412 | 0.68 | KDM4E (0.57) | ALDH1A1KMT2AKDM4EGAALMNA | |
| SCHEMBL2052391 | 0.68 | NQO1 (0.65) | ALDH1A1KMT2AMEN1KDM4ELMNA |
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-7718781-B2 | Hydroxypyridonate and hydroxypyrimidinone chelating agents | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-05-18 | — | — | US | disclosed |