Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8079236 | 0.80 | CA2 (0.42) | CYP19A1ALDH1A1LMNACA12CA2 | |
| SCHEMBL29650290 | 0.79 | ALDH1A1 (0.39) | CYP19A1ALDH1A1LMNACA12CA2 | |
| SCHEMBL19692896 | 0.79 | ALDH1A1 (0.39) | CYP19A1ALDH1A1LMNACA12CA2 | |
| SCHEMBL9323120 | 0.79 | MAP1LC3B (0.46) | ALDH1A1LMNACA12CA2CYP3A4 | |
| SCHEMBL21102295 | 0.78 | MTNR1A (0.55) | ALDH1A1LMNAHSD17B10TSHRMAPK1 | |
| SCHEMBL12873721 | 0.78 | MAOA (0.42) | CYP19A1LMNAADRB1ADRA1AMIF | |
| SCHEMBL9810685 | 0.77 | ESR1 (0.44) | TSHRDRD3MAP1LC3BMAP1LC3ABLM | |
| SCHEMBL7735444 | 0.76 | ESR1 (0.46) | CYP3A4TSHRDRD3MAP1LC3BMAP1LC3A | |
| SCHEMBL8757169 | 0.76 | ESR1 (0.46) | CYP3A4TSHRDRD3MAP1LC3BMAP1LC3A | |
| SCHEMBL19195086 | 0.76 | ESR1 (0.46) | CYP3A4TSHRDRD3MAP1LC3BMAP1LC3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2046736-B1 | ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2019-06-12 | — | — | EP | disclosed |