Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CSK | P41240 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL7037475 | 0.85 | CYP1A2 (0.50) | SLC6A2TAAR1CYP2C19CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7217846 | 0.84 | CYP1A2 (0.48) | SLC6A2TAAR1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL16670500 | 0.83 | CYP2C19 (0.41) | SLC6A2CYP2C19CYP1A2CYP2D6HPGD | |
| SCHEMBL27896460 | 0.76 | DPP4 (0.53) | TAAR1CYP2C19CYP1A2CYP2D6HPGD | |
| SCHEMBL2992860 | 0.76 | MEN1 (0.49) | CYP2C19CYP1A2CYP2D6HPGDMEN1 | |
| Phosphine SCHEMBL28240902 | 0.74 | DPP4 (0.52) | TAAR1CYP2C19CYP1A2CYP2D6HPGD | |
| SCHEMBL11060021 | 0.74 | DPP4 (0.55) | SLC6A2TAAR1ALDH1A1KMT2AKCNH2 | |
| SCHEMBL477544 | 0.74 | PDCD1 (0.47) | CYP2C19CYP1A2CYP2D6HPGDMEN1 | |
| SCHEMBL11830993 | 0.73 | CYP1A2 (0.42) | CYP2C19CYP1A2CYP2D6HPGDMEN1 | |
| SCHEMBL1537099 | 0.73 | CYP1A2 (0.44) | CYP2C19CYP1A2CYP2D6HPGDMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6395919-B1 | Calcilytic compounds | SMITHKLINE BEECHAM CORPORATION | 2002-05-28 | — | — | US | disclosed |
| EP-1070048-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1070048-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051569-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |