Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.54 |
| ▸ | USP5 | P45974 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | ESRRA | P11474 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MASP2 | O00187 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5955 | 0.84 | MAPT (0.53) | HTTALDH1A1GAAALOX12HIF1A | |
| SCHEMBL7776773 | 0.82 | ESRRA (0.56) | HTTUSP5ESRRACYP2C9ALDH1A1 | |
| Water SCHEMBL4672027 | 0.82 | MAPT (0.50) | HTTALDH1A1GAAALOX12HIF1A | |
| Hydrochloric Acid SCHEMBL1586648 | 0.82 | MEN1 (0.50) | HTTALDH1A1GAAALOX12HIF1A | |
| Ammonia Solution, Strong SCHEMBL28370828 | 0.82 | MAPT (0.50) | HTTALDH1A1GAAALOX12HIF1A | |
| Hydrochloric Acid SCHEMBL4372842 | 0.82 | MEN1 (0.50) | HTTALDH1A1GAAALOX12HIF1A | |
| SCHEMBL10933735 | 0.82 | CYP19A1 (0.65) | CYP19A1ESR1ESR2ALDH1A1HIF1A | |
| Benzene SCHEMBL7548275 | 0.79 | TSHR (0.47) | HTTCYP2C9ALDH1A1GAAALOX12 | |
| SCHEMBL12982628 | 0.78 | HTT (0.46) | HTTESRRACYP2C9ALDH1A1GAA | |
| SCHEMBL256589 | 0.77 | ALDH1A1 (0.61) | HTTALDH1A1GAAALOX12HIF1A |
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-20180024112-A1 | SYSTEMS AND METHODS FOR DETECTING METAL ION CONCENTRATIONS IN SUBJECTS | UNITED STATES DEPARTMENT OF ENERGY | 2018-01-25 | — | — | US | disclosed |