Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 14/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | HTR2C | P28335 | 1/20 | 0.67 |
| ▸ | DRD3 | P35462 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | HTR6 | P50406 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | ACHE | P22303 | 4/20 | 0.61 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11620434 | 0.89 | BCHE (0.64) | BCHEHTR1AADRB3HTR2AHTR2C | |
| SCHEMBL4443462 | 0.86 | BCHE (0.63) | BCHEHTR1AADRB3HTR2AHTR2C | |
| SCHEMBL11622867 | 0.84 | HPGD (0.56) | BCHEHTR1AADRB3HTR2AHTR2C | |
| SCHEMBL1320997 | 0.78 | BCHE (1.00) | BCHEHTR1AADRB3HTR2AHTR2C | |
| SCHEMBL29548285 | 0.78 | BCHE (1.00) | BCHEHTR1AADRB3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL159034 | 0.76 | ACHE (1.00) | BCHEHTR1AADRB3HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL30259425 | 0.76 | ACHE (1.00) | BCHEHTR1AADRB3HTR2AHTR2C | |
| SCHEMBL14698723 | 0.76 | MEN1 (0.56) | TSHRCYP2C19MAPT | |
| SCHEMBL341905 | 0.76 | NOX1 (1.00) | BCHEACHENOX1POLBATM | |
| SCHEMBL522271 | 0.76 | BCHE (0.70) | BCHEACHENOX1MAPT |
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-4083976-A | SPASMOLYTIC, CORONARY-DILATANT | LIKHOSHERSTOV ARKADY MIKHAILOV | 1978-04-11 | — | — | US | disclosed |
| US-3998820-A | 4-DIAZABICYCLO-4,M,O-ALKANYL-ACYL)-PHENOTHIAZINES, THEIR ACIDIC ADDITION SALTS AND QUATERNARY SALTS, PROCESS FOR PRODUCING SAME AND USESPASMOLYTICS; CORONARY DILATANTS | LIKHOSHERSTOV ARKADY MIKHAILOV | 1976-12-21 | — | — | US | disclosed |