Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1918756 | 0.90 | AR (0.51) | ARKCNH2KCNJ1MBOAT4CYP11B1 | |
| SCHEMBL15210068 | 0.88 | KCNH2 (0.50) | ARKCNH2KCNJ1MBOAT4IDH1 | |
| SCHEMBL23791163 | 0.84 | KCNJ1 (0.46) | ARKCNH2KCNJ1MBOAT4IDH1 | |
| SCHEMBL2723153 | 0.82 | RXRA (0.54) | KCNH2KCNJ1S1PR1RXRARXRB | |
| SCHEMBL2723065 | 0.81 | KCNJ1 (0.47) | ARKCNH2KCNJ1MBOAT4IDH1 | |
| SCHEMBL8157355 | 0.81 | AR (0.52) | ARCYP11B1CYP11B2S1PR1RXRA | |
| SCHEMBL16822097 | 0.81 | KCNH2 (0.50) | ARKCNH2KCNJ1MBOAT4IDH1 | |
| SCHEMBL16961827 | 0.79 | CYP4F2 (0.42) | ARKCNH2RXRARXRBRXRG | |
| SCHEMBL22954039 | 0.79 | KCNH2 (0.48) | ARKCNH2KCNJ1MBOAT4IDH1 | |
| SCHEMBL8709726 | 0.78 | MBOAT4 (0.43) | ARKCNH2KCNJ1MBOAT4S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| US-6387903-B1 | ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |
| EP-1014984-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999009985-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |