Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL3637583 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNATRPA1ATMSMN1; SMN2 | |
| Sulfuric Acid SCHEMBL2386170 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1CYP3A4TSHR | |
| Sulfuric Acid SCHEMBL17847416 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1CYP3A4TSHR | |
| SCHEMBL11650509 | 0.84 | KEAP1 (0.42) | ALDH1A1MAPTTDP1CYP3A4TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL1005216 | 0.84 | TRPA1 (0.45) | ALDH1A1TRPA1ATMMAPTTDP1 | |
| SCHEMBL5150922 | 0.79 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTTDP1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL4452739 | 0.79 | TDP1 (0.37) | ALDH1A1LMNASMN1; SMN2MAPTTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29965296 | 0.78 | TRPA1 (0.33) | ALDH1A1TRPA1ATMSMN1; SMN2MAPT | |
| Sulfuric Acid SCHEMBL2561125 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPTTDP1CYP3A4 | |
| SCHEMBL33509 | 0.77 | CYP3A4 (0.50) | ALDH1A1SMN1; SMN2MAPTTDP1CYP3A4 |
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-2022046605-A1 | COMPOSITIONS AND METHODS FOR G-PROTEIN-COUPLED RECEPTOR 44 DETECTION | CITY OF HOPE (US) | 2022-03-03 | — | — | WO | disclosed |