Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14722636 | 0.78 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4106618 | 0.75 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL27665693 | 0.72 | CHRM1 (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28936385 | 0.72 | CHRM1 (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3642623 | 0.69 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9196953 | 0.69 | CHRM1 (0.34) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL423787 | 0.69 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL22294036 | 0.69 | — | — | |
| Pivalate SCHEMBL525830 | 0.69 | CHRM1 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3647371 | 0.69 | TDP1 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4256911-A | TRIFLUOROMETHYL-CARBOXY ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4237276-A | CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY | HOFFMANN-LA ROCHE INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4211724-A | ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM | HOFFMAN-LA ROCHE INC. (US) | 1980-07-08 | — | — | US | disclosed |
| US-4190587-A | PROSTAGLANDINS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-26 | — | — | US | disclosed |
| US-4187381-A | CARDIOVASCULAR AGENTS; OXYTOCICS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-05 | — | — | US | disclosed |
| US-4112225-A | 16-CF3 prostaglandins | HOFFMAN-LA ROCHE INC. (US) | 1978-09-05 | — | — | US | disclosed |