Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.50 |
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 SCHEMBL8603917 | 0.98 | FFAR3 (0.62) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL17078357 | 0.95 | FFAR3 (0.59) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL7777837 | 0.95 | FFAR3 (0.65) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL27959816 | 0.93 | FFAR3 (0.62) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL1728044 | 0.93 | FFAR3 (0.68) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL11355516 | 0.91 | FFAR3 (0.65) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL5317440 | 0.89 | FFAR3 (0.56) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyric Acid SCHEMBL28175671 | 0.88 | FFAR3 (0.62) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Heptane SCHEMBL28449904 | 0.88 | GPR84 (0.65) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Butyl Alcohol SCHEMBL756728 | 0.88 | ALDH1A1 (0.65) | AKR1B1GPR84PPARGPPARDPPARA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744452-A | IMMUNE SYSTEM DISORDERS, AIDS | Wei, Edward T. (US) | 1998-04-28 | — | — | US | disclosed |
| US-5476950-A | Aminopyrrolidine compound | DAIICHI SEIYAKU CO., LTD. (JP) | 1995-12-19 | — | — | US | disclosed |
| US-5416222-A | Chemical intermediates to prepare pyridinocarboxylic acid derivatives with high antimicrobial activity and excellent pharmacokinetics | DAIICHI SEIYAKU CO., LTD. (JP) | 1995-05-16 | — | — | US | disclosed |
| US-5380874-A | Pyrrolidine carbamates | DAIICHI SEIYAKU CO., LTD. (JP) | 1995-01-10 | — | — | US | disclosed |
| EP-0207420-B1 | PYRIDONECARBOXYLIC ACID DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1992-05-06 | — | — | EP | disclosed |
| US-5098912-A | Bactericides for grampositive bacteria | DAIICHI SEIYAKU CO., LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0207420-A2 | Pyridonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1987-01-07 | — | — | EP | disclosed |