Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13183609 | 0.87 | CES1 (0.43) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL2729130 | 0.83 | CES1 (0.46) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL12824175 | 0.83 | CES1 (0.40) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL6387363 | 0.81 | CYP2C19 (0.53) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL28753479 | 0.81 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL3363882 | 0.81 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL11775673 | 0.77 | ALDH1A1 (0.57) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL18496747 | 0.76 | CHRM3 (0.43) | CES1KCNN4CYP2C19HIF1A | |
| SCHEMBL6557126 | 0.74 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL18901487 | 0.74 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1AMAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242483-B1 | ADMINISTERING MOSINONE A, MOSIN B, OR MOSIN C AS ANTITUMOR AGENT | PURDUE RESEARCH FOUNDATION | 2001-06-05 | — | — | US | disclosed |
| EP-0766679-A4 | BIOACTIVE ACETOGENINS AND DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5955497-A | ANTITUMOR AGENTS AND CYTOTOXICITY | PURDUE RESEARCH FOUNDATION (US) | 1999-09-21 | — | — | US | disclosed |
| WO-1998049895-A1 | SELECTIVELY CYTOTOXIC ACETOGENIN COMPOUNDS | PURDUE RESEARCH FOUNDATION (US) | 1998-11-12 | — | — | WO | disclosed |
| US-5717113-A | ANTITUMOR AGENTS | PURDUE RESEARCH FOUNDATION (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0766679-A1 | BIOACTIVE ACETOGENINS AND DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 1997-04-09 | — | — | EP | disclosed |
| US-5536848-A | ANTITUMOR, PESTICIDES | PURDUE RESEARCH FOUNDATION (US) | 1996-07-16 | — | — | US | disclosed |
| WO-1995034544-A1 | BIOACTIVE ACETOGENINS AND DERIVATIVES | PURDUE RESEARCH FOUNDATION (US) | 1995-12-21 | — | — | WO | disclosed |