Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8075335 | 0.98 | CES2 (0.55) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL31393772 | 0.96 | NR3C2 (0.55) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL11875597 | 0.93 | ESR1 (0.60) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL9767715 | 0.89 | CES2 (0.50) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL9001714 | 0.88 | NR3C2 (0.62) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL9001693 | 0.88 | NPSR1 (0.61) | NR3C2ESR1ESR2NPSR1L3MBTL1 | |
| SCHEMBL14875485 | 0.84 | CES2 (0.46) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL11672768 | 0.84 | NR3C2 (0.54) | NR3C2ESR1ESR2NPSR1L3MBTL1 | |
| SCHEMBL1003807 | 0.83 | NPSR1 (0.61) | CES2CES1NR3C2ESR1ESR2 | |
| SCHEMBL6294582 | 0.83 | PTGIR (0.49) | CES2CES1NR3C2ESR1ESR2 |
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-5066776-A | From dihaloaromatic compound, in situ generation of alkali sulfides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-19 | — | — | US | disclosed |