Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.45 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28046471 | 0.80 | ABL1 (0.52) | CYP1A2CYP2A6MAP4K4TYK2MINK1 | |
| SCHEMBL24784416 | 0.79 | MET (0.47) | HCAR3ADRA2AADRA2BADRA2CKDM4E | |
| SCHEMBL13804176 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2A6CLK4CHEK1NOTUM | |
| SCHEMBL14092556 | 0.78 | NOTUM (0.43) | CYP1A2CYP2A6MAP4K4TYK2MINK1 | |
| Hydrochloric Acid SCHEMBL7398907 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2A6CLK4CHEK1NOTUM | |
| SCHEMBL12410299 | 0.75 | PIK3CA (0.57) | CHEK1NOTUMMTOR | |
| SCHEMBL12915410 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2A6MAP4K4TYK2MINK1 | |
| SCHEMBL2319091 | 0.74 | NOTUM (0.56) | CYP1A2CYP2A6CHEK1NOTUMMTOR | |
| SCHEMBL3662977 | 0.74 | CHEK1 (0.49) | CYP1A2CYP2A6MAP4K4TYK2MINK1 | |
| SCHEMBL25242404 | 0.74 | PDPK1 (0.54) | CYP1A2CYP2A6MAP4K4TYK2MINK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1069901-A4 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | claimed |
| EP-1069901-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | claimed |
| WO-1999051241-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |
| 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 |