Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6153592 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6154390 | 1.00 | ALDH1A1 (0.53) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| Acetic Acid SCHEMBL8073475 | 0.98 | ALDH1A1 (0.51) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| Acetic Acid SCHEMBL8073472 | 0.98 | ALDH1A1 (0.51) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL6154419 | 0.91 | ALDH1A1 (0.58) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL16349153 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL6154195 | 0.84 | PPARG (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4PPARG | |
| SCHEMBL6154197 | 0.84 | PPARG (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4PPARG | |
| Acetic Acid SCHEMBL10433402 | 0.82 | ALPI (0.53) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL6379977 | 0.81 | ACACB (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9143148-A | — | — | None | — | — | JP | disclosed |
| CN-102757379-B | Preparation method of alvimopan | SHANGHAI HAOYUAN BIOLOG MEDICAL TECHNOLOGY CO LTD | 2014-01-22 | — | — | CN | disclosed |
| EP-1154989-B1 | VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF | PACIFIC CORP (KR) | 2005-12-14 | — | — | EP | disclosed |
| EP-0916654-B1 | SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF | KANEKA CORP (JP) | 2005-02-23 | — | — | EP | disclosed |
| US-6476076-B1 | Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof | PACIFIC CORPORATION (KR) | 2002-11-05 | — | — | US | disclosed |
| US-6410773-B1 | OPTICAL ACTIVE MATERIAL; ENKEPHALINASE INHIBITORS; HYPOTENSIVE AGENTS | KANEKA CORPORATION (JP) | 2002-06-25 | — | — | US | disclosed |
| EP-1154989-A1 | VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF | PACIFIC CORPORATION (KR) | 2001-11-21 | — | — | EP | disclosed |
| US-6121477-A | Sulfonic ester derivatives, process for preparing the same, and use thereof | KANEKA CORPORATION (JP) | 2000-09-19 | — | — | US | disclosed |
| WO-2000050387-A1 | VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF | PACIFIC CORPORATION (KR) | 2000-08-31 | — | — | WO | disclosed |
| EP-0820439-B1 | METHOD FOR THE ASYMMETRICAL SYNTHESIS OF S-ACYLATED DERIVATIVES OF 2-MERCAPTOMETHYL 3-PHENYL PROPANOIC ACID, AND USE THEREOF FOR SYNTHESISING N-(MERCAPTOACYL) AMINO ACID DERIVATIVES | BIOPROJET SOC CIV (FR) | 2000-05-03 | — | — | EP | disclosed |
| EP-0916654-A1 | SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF | KANEKA CORPORATION (JP) | 1999-05-19 | — | — | EP | disclosed |
| JP-H09143148-A | PRODUCTION OF 2-BENZYL-3-((P-TOLUENESULFONYL)OXY)PROPYL ACETATE | KURARAY CO LTD | 1997-06-03 | — | — | JP | disclosed |
| EP-0377139-B1 | N-substituted acylamino acid compounds, process for their production and their use | BANYU PHARMA CO LTD (JP) | 1995-07-12 | — | — | EP | disclosed |
| US-5424309-A | Hypotensive agents | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-06-13 | — | — | US | disclosed |
| EP-0377139-A1 | N-substituted acylamino acid compounds, process for their production and their use | Banyu Pharmaceutical Co., Ltd. (JP) | 1990-07-11 | — | — | EP | disclosed |