Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | PCNA | P12004 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23013150 | 0.71 | HCAR2 (0.42) | — | |
| SCHEMBL11084609 | 0.69 | HCAR2 (0.39) | MAPK1NPC1 | |
| SCHEMBL574839 | 0.68 | HCAR2 (0.40) | EGFRLMNATP53 | |
| SCHEMBL23012479 | 0.68 | MEN1 (0.36) | POLB | |
| SCHEMBL8778776 | 0.68 | — | — | |
| SCHEMBL8854222 | 0.67 | ALDH1A1 (0.40) | LMNACYP1A2CYP2C19 | |
| SCHEMBL1915202 | 0.66 | LMNA (0.35) | MTNR1AMTNR1BPCNAEGFRSRC | |
| SCHEMBL11310137 | 0.65 | — | — | |
| SCHEMBL16127990 | 0.64 | MTNR1A (0.37) | MTNR1AMTNR1BPCNAEGFRSRC | |
| Hydrochloric Acid SCHEMBL11322350 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828718-A1 | HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996038418-A1 | HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-12-05 | — | — | WO | disclosed |