Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27082101 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL28694060 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL28050909 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL13372605 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL5453 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL28410846 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL1580573 | 1.00 | — | — | |
| Isobutane SCHEMBL132611 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL6337855 | 1.00 | CA1 (0.56) | CA1CA2CA9TP53FFAR3 | |
| Isobutane SCHEMBL5079904 | 0.95 | TP53 (0.50) | CA1CA2CA9TP53FFAR3 |
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
Appears in 4577 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116284574-B | Polymer compatilizer and preparation method and application thereof | 万华化学（宁波）有限公司 | 2026-05-12 | — | — | CN | claimed |
| CN-119707895-A | Preparation method of 7-formyl-2, 3-dihydrobenzofuran-4-carbonitrile | 江苏苏中药业研究院有限公司 | 2025-03-28 | — | — | CN | claimed |
| WO-2024024935-A1 | NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT | 第一三共株式会社 | 2024-02-01 | — | — | WO | claimed |
| CN-117396479-A | Method for preparing carbanucleoside using amide | 吉利德科学公司 | 2024-01-12 | — | — | CN | claimed |
| WO-2024011067-A2 | METHODS OF MANUFACTURE OF R-MDMA | Mind Medicine, Inc. (US) | 2024-01-11 | — | — | WO | claimed |
| CN-117120444-A | Method for preparing carbanucleoside using amide | 吉利德科学公司 | 2023-11-24 | — | — | CN | claimed |
| CN-116813577-A | Synthesis method of N-tert-butoxycarbonyl-L-homoserine lactone | 吉尔多肽生物制药(大连市)有限公司 | 2023-09-29 | — | — | CN | claimed |
| EP-3626721-B1 | SYNTHESIS OF ESTER AND AMIDE DERIVATIVES OF BETA-LACTAM NUCLEI | BONOMI PAOLO (FR) | 2023-09-06 | — | — | EP | claimed |
| CN-116284574-A | Polymer compatilizer and preparation method and application thereof | 万华化学（宁波）有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-113461860-B | Crosslinked polypropylene material and preparation method thereof | 杭州师范大学 | 2023-05-16 | — | — | CN | claimed |
| WO-2002008184-A1 | PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES | PHARMACIA ITALIA S.P.A. (IT) | 2002-01-31 | — | — | WO | claimed |
| WO-2002004417-A1 | PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4-AMINO-3-HYDROXYPYRROLE-2-CARBOXYLIC ACID | PHARMACIA CORPORAION (US) | 2002-01-17 | — | — | WO | claimed |
| EP-0944603-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-29 | — | — | EP | claimed |
| EP-0846106-A2 | NEW PROCESS FOR THE PREPARATION OF N-MONOSUBSTITUTED PIPERAZIN DERIVATIVES | Astra Aktiebolag (SE) | 1998-06-10 | — | — | EP | claimed |
| WO-1998023595-A1 | PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 1998-06-04 | — | — | WO | claimed |
| EP-0591333-B1 | AZANORBORNANE DERIVATIVES | PFIZER (US) | 1997-03-05 | — | — | EP | claimed |
| WO-1997007106-A1 | NEW PROCESS FOR THE PREPARATION OF N-MONOSUBSTITUTED PIPERAZIN DERIVATIVES | ASTRA AKTIEBOLAG (SE) | 1997-02-27 | — | — | WO | claimed |
| US-5510522-A | AMIDATION, IODINATION, METALLIZATION, RADIOFLUORINATION OF DOPA AND DERIVATIVES THEREOF; SHELF STABLE PRECURSOR, HIGH YIELDS | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-04-23 | — | — | US | claimed |
| WO-1994000460-A9 | SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA | — | 1994-02-17 | — | — | WO | claimed |
| WO-1994000460-A1 | SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1994-01-06 | — | — | WO | claimed |