Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11068888 | 0.85 | ADRB1 (0.70) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL4070205 | 0.79 | HTR3E (0.65) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4074886 | 0.76 | HTR3E (0.59) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2273801 | 0.75 | ADRB1 (0.58) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL8318076 | 0.74 | CHRM2 (0.57) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL1252295 | 0.74 | CHRM2 (0.57) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL14336964 | 0.74 | ADRB1 (0.57) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL2835955 | 0.74 | ADRB1 (0.57) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL6965885 | 0.73 | ADRB1 (0.96) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL4074110 | 0.71 | MAOB (0.40) | ADRB1FFAR4TP53HTR1ASLC6A4 |
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-6110939-A | AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-08-29 | — | — | US | disclosed |