Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butyric Acid. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL10589842 | 0.98 | HDAC3 (0.54) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Valeric Acid SCHEMBL1865442 | 0.89 | CES2 (0.53) | HDAC3HDAC1HDAC2HDAC8CES2 | |
| Hexanoate SCHEMBL10610885 | 0.87 | AKR1B1 (0.57) | CES2CES1TDP1ESR1FABP4 | |
| Valeric Acid SCHEMBL15455275 | 0.86 | CES2 (0.55) | HDAC3HDAC1HDAC2HDAC8CES2 | |
| Octanoic Acid SCHEMBL8458993 | 0.85 | GPR84 (0.59) | CES2CES1TDP1ESR1FABP4 | |
| Propionic Acid SCHEMBL11597979 | 0.85 | CYP3A4 (0.55) | FFAR3CES2CES1CYP3A4TDP1 | |
| Succinic Acid SCHEMBL7629002 | 0.85 | CYP3A4 (0.60) | HDAC3HDAC1HDAC2HDAC8CYP3A4 | |
| Valeric Acid SCHEMBL11825314 | 0.85 | CES2 (0.53) | HDAC3HDAC1HDAC2HDAC8CES2 | |
| Nonanoate SCHEMBL21603090 | 0.83 | GPR84 (0.61) | CES2CES1TDP1ESR1FABP4 | |
| Octanoic Acid SCHEMBL27495786 | 0.83 | GPR84 (0.61) | CES2CES1TDP1ESR1FABP4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369588-A | A kind of preparation process of Lubiprostone 1 intermediate | 峨眉山宏昇药业股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-109369588-A | A kind of preparation process of Lubiprostone 1 intermediate | 峨眉山宏昇药业股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| US-20120190743-A1 | COMPOUNDS FOR TREATING DISORDERS OR DISEASES ASSOCIATED WITH NEUROKININ 2 RECEPTOR ACTIVITY | UNITED PARAGON ASSOCIATES INC. (CA) | 2012-07-26 | — | — | US | disclosed |
| EP-2473038-A1 | COMPOUNDS FOR TREATING DISORDERS OR DISEASES ASSOCIATED WITH NEUROKININ 2 RECEPTOR ACTIVITY | United Paragon Associates Inc. (CA) | 2012-07-11 | — | — | EP | disclosed |
| US-4092427-A | ANTICOAGULANTS, OXYTOCICS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-05-30 | — | — | US | disclosed |
| US-4048329-A | HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-09-13 | — | — | US | disclosed |
| US-4048328-A | HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-09-13 | — | — | US | disclosed |
| US-4007171-A | PROSTAGLANDIN | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-02-08 | — | — | US | disclosed |
| US-3987081-A | ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120190743-A1 | COMPOUNDS FOR TREATING DISORDERS OR DISEASES ASSOCIATED WITH NEUROKININ 2 RECEPTOR ACTIVITY | NTSR2, TACR2, BDKRB2 | FFAR3 936/4885HDAC3 1226/4885HDAC1 1139/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.