Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132878 | 0.84 | CYP2A6 (0.45) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL4946960 | 0.84 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL27465618 | 0.83 | PDCD1 (0.44) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL2094933 | 0.82 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL7058734 | 0.77 | CYP2A6 (0.70) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL21848864 | 0.76 | CYP2A6 (0.59) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL3181535 | 0.76 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL27870289 | 0.76 | CYP2A6 (0.67) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL21562299 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14003393 | 0.75 | CYP2A6 (0.53) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113264816-B | Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof | 湖北科技学院 | 2023-03-24 | — | — | CN | disclosed |
| WO-2020018747-A1 | METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-01-23 | — | — | WO | disclosed |
| WO-2017121969-A1 | NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2017-07-20 | — | — | WO | disclosed |
| CN-104529850-A | Method for preparing (Z) type tellurium-sulfur olefin compound | UNIV HUNAN | 2015-04-22 | — | — | CN | disclosed |
| US-7271270-B2 | High affinity small molecule C5a receptor modulators | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| CN-1280300-C | Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers | BASELL TECHNOLOGY CO BV (NL) | 2006-10-18 | — | — | CN | disclosed |
| US-6924301-B1 | Composition for treating or preventing arrhythmia | SHIONOGI & CO., LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| CN-1161388-C | Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins | — | 2004-08-11 | — | — | CN | disclosed |
| EP-0976748-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-1240906-A1 | PREVENTIVES OR REMEDIES FOR ARRHYTHMIA | SHIONOGI & CO., LTD. (JP) | 2002-09-18 | — | — | EP | disclosed |
| CN-1348459-A | Heterocyclic metallocene compounds and their use in catalyst systems for producing olefin polymers | BASELL TECHNOLOGY CO BV (NL) | 2002-05-08 | — | — | CN | disclosed |
| CN-1347424-A | Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins | BASELL TECHNOLOGY CO B V (NL) | 2002-05-01 | — | — | CN | disclosed |
| US-6147100-A | ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0976748-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2000-02-02 | — | — | EP | disclosed |
| US-4599341-A | CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1986-07-08 | — | — | US | disclosed |