Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31142946 | 1.00 | ADRB1 (0.43) | ADRB1PDE10ACHRNB2CHRNA4HTR3E | |
| Hydrochloric Acid SCHEMBL30223275 | 0.99 | ADRB1 (0.42) | ADRB1PDE10ACHRNB2CHRNA4HTR3E | |
| SCHEMBL31142879 | 0.82 | PIK3CD (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24969941 | 0.82 | PIK3CD (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL30222974 | 0.81 | PIK3CD (0.49) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24970920 | 0.75 | MAPT (0.34) | HRH4ALDH1A1MAPTHSD17B10TDP1 | |
| SCHEMBL31143036 | 0.73 | CNR1 (0.47) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL4823755 | 0.72 | ADRB1 (0.56) | ADRB1CHRNB2CHRNA4HTR3EHTR3B | |
| SCHEMBL24970932 | 0.72 | TDP1 (0.54) | ADRB1CHRNB2CHRNA4HTR3EHTR3B | |
| SCHEMBL24969947 | 0.70 | CHRNB2 (0.58) | ADRB1CHRNB2CHRNA4HTR3EHTR3B |
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-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |