Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | PGR | P06401 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | MAG | P20916 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29387077 | 0.93 | NOD2 (0.63) | NOD2ESR1PGRHTR1AADORA3 | |
| Water SCHEMBL10831450 | 0.91 | NOD2 (0.72) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL10383211 | 0.86 | NOD2 (0.62) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL10832327 | 0.85 | NOD2 (0.57) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL17446684 | 0.84 | ESR1 (0.52) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL19177370 | 0.84 | ESR1 (0.52) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL17434101 | 0.84 | ESR1 (0.52) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL17434025 | 0.82 | ESR1 (0.49) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL19177502 | 0.82 | ESR1 (0.49) | NOD2ESR1PGRHTR1AADORA3 | |
| SCHEMBL17446790 | 0.82 | ESR1 (0.49) | NOD2ESR1PGRHTR1AADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4446128-A | Antigen derivatives and processes for their preparation | CIBA-GEIGY CORPORATION (US) | 1984-05-01 | — | — | US | disclosed |
| US-4397844-A | Antigen derivatives and processes for their preparation | CIBA-GEIGY CORPORATION (US) | 1983-08-09 | — | — | US | disclosed |