Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3804565 | 0.86 | NR3C1 (0.41) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL17378840 | 0.85 | CA3 (0.43) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL17378908 | 0.81 | CA3 (0.43) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL17758698 | 0.81 | TYR (0.44) | CA9CA14ESR1ESR2AR | |
| SCHEMBL18649480 | 0.81 | RIPK1 (0.39) | NR3C2ALDH1A1RIPK1 | |
| SCHEMBL30893101 | 0.80 | CNR1 (0.48) | ESR1ESR2ARCNR1CNR2 | |
| SCHEMBL29477964 | 0.79 | CNR1 (0.47) | ESR1ESR2ARCNR1CNR2 | |
| Potassium SCHEMBL29478013 | 0.79 | CNR1 (0.47) | ESR1ESR2ARCNR1CNR2 | |
| SCHEMBL19068287 | 0.79 | IDO1 (0.41) | NR3C2NR3C1 | |
| SCHEMBL26554072 | 0.79 | IDO1 (0.41) | NR3C2NR3C1 |
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-9669034-B2 | 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2017-06-06 | — | — | US | disclosed |