Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.44 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28748226 | 0.97 | MEN1 (0.48) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Butanol SCHEMBL28098196 | 0.84 | TSHR (0.50) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Methyl Alcohol SCHEMBL27613845 | 0.83 | — | — | |
| SCHEMBL10985874 | 0.82 | MEN1 (0.41) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Lactic Acid SCHEMBL3962098 | 0.82 | TP53 (0.52) | MEN1ESR1KMT2ACYP2C9CYP1A2 | |
| Isopropylamine SCHEMBL7096169 | 0.81 | CYP2A6 (0.44) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Isobutanol SCHEMBL9506669 | 0.80 | TSHR (0.47) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Methyl Alcohol SCHEMBL27637623 | 0.80 | — | — | |
| Ethane SCHEMBL28709478 | 0.79 | — | — | |
| SCHEMBL4969576 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3668494-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | Psomagen, Inc. (US) | 2020-06-24 | — | — | EP | claimed |
| WO-2019036507-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | uBiome, Inc. (US) | 2019-02-21 | — | — | WO | claimed |
| CN-116037099-A | Composite catalyst, preparation method thereof and method for preparing olefin by alcohol dehydration | 中国石油化工股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| EP-3668494-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | Psomagen, Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019036507-A1 | TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE | uBiome, Inc. (US) | 2019-02-21 | — | — | WO | disclosed |
| US-20040238977-A1 | Polymeric optical articles | GETRONICS WANG CO., LLC | 2004-12-02 | — | — | US | disclosed |
| US-6776932-B1 | Polymeric optical articles | GETRONICS WANG CO. LLC | 2004-08-17 | — | — | US | disclosed |
| EP-1105124-A2 | N-LINKED SULFONAMIDES OF N-HETEROCYCLIC CARBOXYLIC ACIDS OR ISOSTERES FOR VISION AND MEMORY DISORDERS | GPI NIL Holdings, Inc. (US) | 2001-06-13 | — | — | EP | disclosed |
| CN-1260050-A | Polymeric optical articles | POSTON OPTICAL FIBER INC (US) | 2000-07-12 | — | — | CN | disclosed |
| EP-0988567-A1 | POLYMERIC OPTICAL ARTICLES | Boston Optical Fiber, Inc. (US) | 2000-03-29 | — | — | EP | disclosed |
| WO-2000009103-A2 | N-LINKED SULFONAMIDES OF N-HETEROCYCLIC CARBOXYLIC ACIDS OR ISOSTERES FOR VISION AND MEMORY DISORDERS | GPI NIL HOLDINGS, INC. (US) | 2000-02-24 | — | — | WO | disclosed |
| US-RE36494-E | 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents | DISCOVERY THERAPEUTICS, INC. (US) | 2000-01-11 | — | — | US | disclosed |
| WO-1998057204-A1 | POLYMERIC OPTICAL ARTICLES | BOSTON OPTICAL FIBER, INC. (US) | 1998-12-17 | — | — | WO | disclosed |
| US-5795908-A | FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS | GPI NIL HOLDINGS, INC. (US) | 1998-08-18 | — | — | US | disclosed |
| US-5140015-A | Racemic mixture for inducing an adenosine response in humans and animals | WHITBY RESEARCH, INC. (US) | 1992-08-18 | — | — | US | disclosed |