Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR1D | P28221 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17828159 | 0.81 | NOS3 (0.52) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL19160064 | 0.81 | TSHR (0.47) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL10066451 | 0.80 | NOS3 (0.55) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL13337725 | 0.80 | NOS3 (0.55) | NOS3NOS1NOS2KDM4ETSHR | |
| Hydrochloric Acid SCHEMBL11420925 | 0.79 | NOS3 (0.53) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL21657227 | 0.78 | HRH3 (0.39) | KDM4ETSHRPOLBTDP1HTR1A | |
| SCHEMBL31644385 | 0.78 | TAAR1 (0.49) | KDM4ECHRNA7TAAR1HRH3LMNA | |
| SCHEMBL218290 | 0.78 | NOS3 (0.61) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL2552826 | 0.77 | NOS2 (0.52) | NOS3NOS1NOS2KDM4ETSHR | |
| SCHEMBL5340892 | 0.77 | NOS3 (0.57) | NOS3NOS1NOS2KDM4ETSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069901-A4 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | disclosed |
| EP-1069901-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051241-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |