Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8984823 | 0.87 | CYP2C19 (0.35) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL8206827 | 0.81 | CA12 (0.48) | ALDH1A1HSD17B10TP53ALOX15KDM4E | |
| SCHEMBL28735575 | 0.80 | TSHR (0.39) | ALDH1A1HSD17B10ALOX15TSHRLMNA | |
| SCHEMBL687065 | 0.78 | TSHR (0.46) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL19669 | 0.78 | CA12 (0.48) | ALDH1A1HSD17B10TP53ALOX15KDM4E | |
| SCHEMBL28647993 | 0.78 | TSHR (0.40) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL27591294 | 0.77 | CA12 (0.46) | ALDH1A1HSD17B10TP53ALOX15KDM4E | |
| SCHEMBL9748128 | 0.74 | — | — | |
| Iodide SCHEMBL28868954 | 0.73 | TSHR (0.52) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| Diethanolamine SCHEMBL2890527 | 0.71 | TSHR (0.42) | ALDH1A1HSD17B10TP53ALOX15KDM4E |
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-4054757-A1 | MATERIALS AND METHODS FOR MIXED MODE, ANION EXCHANGE REVERSED PHASE LIQUID CHROMATOGRAPHY | Waters Technologies Corporation (US) | 2022-09-14 | — | — | EP | disclosed |
| US-20210138361-A1 | MATERIALS AND METHODS FOR MIXED MODE, ANION EXCHANGE REVERSED PHASE LIQUID CHROMATOGRAPHY | WATERS TECHNOLOGIES CORPORATION | 2021-05-13 | — | — | US | disclosed |