Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Butanedione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | THPO | P40225 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL9294413 | 0.96 | TSHR (0.58) | TSHRTHPOCA2LMNACA4 | |
| Phosphoric Acid SCHEMBL28210641 | 0.86 | LMNA (0.60) | TSHRTHPOCA2LMNAFFAR3 | |
| Phosphoric Acid SCHEMBL27514426 | 0.86 | LMNA (0.60) | TSHRTHPOCA2LMNAFFAR3 | |
| Phosphoric Acid SCHEMBL285413 | 0.86 | — | — | |
| Pyruvate SCHEMBL4306224 | 0.84 | TSHR (0.43) | TSHRTHPOCA2LMNACA4 | |
| Pyruvate SCHEMBL180812 | 0.84 | TSHR (0.43) | TSHRTHPOCA2LMNACA4 | |
| Pyruvate SCHEMBL27978365 | 0.84 | TSHR (0.43) | TSHRTHPOCA2LMNACA4 | |
| Phosphoric Acid SCHEMBL11292968 | 0.82 | LMNA (0.55) | TSHRTHPOCA2LMNAFFAR3 | |
| Phosphoric Acid SCHEMBL7766361 | 0.82 | FFAR3 (0.64) | TSHRTHPOCA2LMNAFFAR3 | |
| Phosphoric Acid SCHEMBL7020663 | 0.82 | FFAR3 (0.64) | TSHRTHPOCA2LMNAFFAR3 |
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 1393 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240374492-A1 | A SUNSCREEN COMPOSITION COMPRISING AVOBENZONE AND A METHOD FOR PHOTOSTABILIZATION | ISP INVESTMENTS LLC (US) | 2024-11-14 | — | — | US | claimed |
| CN-117430541-B | Compounds and compositions for delivery to cells | 深圳湾实验室 | 2024-04-19 | — | — | CN | claimed |
| CN-117430541-A | Compounds and compositions for delivery to cells | 深圳湾实验室 | 2024-01-23 | — | — | CN | claimed |
| WO-2023009315-A1 | A SUNSCREEN COMPOSITION COMPRISING AVOBENZONE AND A METHOD FOR PHOTOSTABILIZATION | ISP INVESTMENTS LLC (US) | 2023-02-02 | — | — | WO | claimed |
| US-20220387290-A1 | SUNSCREEN COMPOSITIONS AND METHOD OF USE THEREOF | ISP INVESTMENTS LLC (US) | 2022-12-08 | — | — | US | claimed |
| EP-3946642-A1 | SUNSCREEN COMPOSITIONS AND METHOD OF USE THEREOF | ISP Investments LLC (US) | 2022-02-09 | — | — | EP | claimed |
| CN-107072944-B | Liposomal ciprofloxacin formulations with anti-nontuberculous mycobacterial activity | 阿拉迪姆公司 | 2021-11-02 | — | — | CN | claimed |
| WO-2020168336-A1 | SUNSCREEN COMPOSITIONS AND METHOD OF USE THEREOF | ISP INVESTMENTS LLC (US) | 2020-08-20 | — | — | WO | claimed |
| WO-2020159121-A1 | COMPOSITION FOR STABILIZING VITAMIN C DERIVATIVE BY USING GEL STRUCTURE | ㈜아모레퍼시픽 | 2020-08-06 | — | — | WO | claimed |
| US-9968555-B2 | Liposomal formulations that form drug nanocrystals after freeze-thaw | ARADIGM CORPORATION (US) | 2018-05-15 | — | — | US | claimed |
| WO-1998051284-A1 | NOVEL ACOUSTICALLY ACTIVE DRUG DELIVERY SYSTEMS | IMARX PHARMACEUTICAL CORP. (US) | 1998-11-19 | — | — | WO | claimed |
| EP-0802788-A4 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER EVAN C (US) | 1998-09-09 | — | — | EP | claimed |
| EP-0712293-A4 | METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES | UNGER EVAN C (US) | 1998-05-06 | — | — | EP | claimed |
| WO-1997040679-A1 | METHODS FOR DELIVERING COMPOUNDS INTO A CELL | IMARX PHARMACEUTICAL CORP. (US) | 1997-11-06 | — | — | WO | claimed |
| EP-0802788-A1 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER, Evan C (US) | 1997-10-29 | — | — | EP | claimed |
| US-5585112-A | TEMPERATURE-ACTIVATED FLUORINE-CONTAINING GAS; USEFUL IN ULTRASONIC IMAGING AND DRUG DELIVERY SYSTEMS; FDA ORANGE BOOK LISTED PATENT FOR PERFLUTREN | IMARX PHARMACEUTICAL CORP. (US) | 1996-12-17 | — | — | US | claimed |
| EP-0712293-A1 | METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES | UNGER, Evan C (US) | 1996-05-22 | — | — | EP | claimed |
| WO-1994028780-A2 | METHODS OF PREPARING GAS AND GASEOUS PRECURSOR-FILLED MICROSPHERES | UNGER EVAN C (US) | 1994-12-22 | — | — | WO | claimed |
| WO-1994028874-A1 | NOVEL THERAPEUTIC DELIVERY SYSTEMS | UNGER EVAN C (US) | 1994-12-22 | — | — | WO | claimed |
| US-4416872-A | INTERRUPTING LIFE CYCLE OF THE PARASITE IN LIVER OF HOST | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1983-11-22 | — | — | US | claimed |