Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.85 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.72 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | RAB9A | P51151 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | GAA | P10253 | 5/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | TYR | P14679 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 2/20 | 0.68 |
| ▸ | MAOB | P27338 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL132620 | 0.92 | ALDH1A1 (1.00) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| Guanidine SCHEMBL28209417 | 0.91 | ALDH1A1 (0.77) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL9470190 | 0.90 | ALDH1A1 (0.94) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL8956322 | 0.90 | ALDH1A1 (0.94) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL2316198 | 0.84 | ALDH1A1 (0.75) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL5077463 | 0.84 | KMT2A (1.00) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL455167 | 0.83 | ALDH1A1 (0.73) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL9243020 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| Tetramethylammonium Ion SCHEMBL28514624 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A | |
| SCHEMBL27691142 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TAS2R38HSD17B10CYP3A4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019113082-A1 | A COLLECTOR FORMULATION TO ENHANCE METAL RECOVERY IN MINING APPLICATIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2019-06-13 | — | — | WO | disclosed |