Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | CD38 | P28907 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | QPCT | Q16769 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809415 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2D6HRH1KCNH2CYP19A1 | |
| SCHEMBL945421 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28498519 | 0.87 | CYP19A1 (0.39) | CYP3A4CYP2D6HRH1KCNH2CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL28860953 | 0.87 | — | — | |
| SCHEMBL21827988 | 0.81 | CYP19A1 (0.36) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL21827989 | 0.81 | CYP19A1 (0.36) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL10068593 | 0.80 | — | — | |
| SCHEMBL4872099 | 0.80 | CYP2B6 (0.44) | CYP3A4CYP2D6HRH1KCNH2CYP19A1 | |
| SCHEMBL18055795 | 0.79 | CYP19A1 (0.35) | CYP19A1CYP17A1NFKB1QPCTHSD17B10 | |
| SCHEMBL31058221 | 0.79 | CYP3A4 (0.35) | CYP3A4CYP2D6HRH1KCNH2CYP19A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0961618-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2002-07-17 | — | — | EP | claimed |
| EP-0961618-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-08 | — | — | EP | claimed |
| WO-1998025619-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-06-18 | — | — | WO | claimed |
| WO-2023215991-A1 | DNA-PK INHIBITOR COMPOUNDS AND USES THEREOF | adMare Therapeutics Society (CA) | 2023-11-16 | — | — | WO | disclosed |
| EP-1583535-A4 | METHODS FOR TREATING DIABETES | SCIOS INC (US) | 2008-03-19 | — | — | EP | disclosed |
| EP-1583535-A2 | METHODS FOR TREATING DIABETES | SCIOS INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004053107-A2 | METHODS FOR TREATING DIABETES | SCIOS INC. (US) | 2004-06-24 | — | — | WO | disclosed |
| EP-0961618-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0961618-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-08 | — | — | EP | disclosed |
| WO-1998025619-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-06-18 | — | — | WO | disclosed |