Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL669079 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL9861852 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AMAPTPKM | |
| SCHEMBL9861869 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AMAPTPKM | |
| SCHEMBL17517613 | 0.80 | CYP1A1 (0.43) | CYP1A1CYP1B1MEN1KMT2ARAB9A | |
| SCHEMBL29406199 | 0.78 | TSHR (0.54) | ALDH1A1MEN1KMT2AMAPTPKM | |
| SCHEMBL12561923 | 0.78 | CYP1A1 (0.42) | CYP1A1CYP1B1MEN1KMT2ARAB9A | |
| SCHEMBL14288982 | 0.78 | CA12 (0.46) | CYP1A1CYP1B1MEN1KMT2ARAB9A | |
| SCHEMBL14323609 | 0.78 | ALDH1A1 (0.75) | ALDH1A1CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL14323608 | 0.78 | ALDH1A1 (0.75) | ALDH1A1CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL7911018 | 0.77 | CA1 (0.41) | ALDH1A1CYP1A1CYP1B1MEN1KMT2A |
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-2012024029-A1 | CONTROLLING CONCENTRATIONS OF ANIONS WITH LIGHT USING ARYL-TRIAZOLE FOLDAMERS | INDIANA RESEARCH & TECHNOLOGY CORPORATION (US) | 2012-02-23 | — | — | WO | disclosed |