Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | NOS2 | P35228 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | SREBF1 | P36956 | 1/20 | 0.37 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.37 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL218290 | 0.93 | NOS3 (0.61) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL11563922 | 0.91 | NOS3 (0.59) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL23891936 | 0.83 | CYP1A2 (0.44) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL21527214 | 0.83 | NOS3 (0.52) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL1654460 | 0.78 | LOXL2 (0.55) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL2935815 | 0.78 | RECQL (0.55) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL13337725 | 0.78 | NOS3 (0.55) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL10066451 | 0.78 | NOS3 (0.55) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL14470239 | 0.78 | NOS3 (0.55) | NOS3NOS1NOS2CYP1A2POLB | |
| SCHEMBL5115940 | 0.78 | NOS3 (0.55) | NOS3NOS1NOS2CYP1A2POLB |
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 |