Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Gamma-Aminobutyric 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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
| ▸ | GABRD | O14764 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.48 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Beta-Alanine SCHEMBL18230715 | 0.90 | CYP2D6 (0.49) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| Adipic Acid SCHEMBL5313716 | 0.90 | ALDH1A1 (0.50) | KMT2ALMNACYP2C9ALDH1A1MAPK1 | |
| Glutarate SCHEMBL31490757 | 0.90 | KMT2A (0.49) | KMT2ALMNATSHRCYP2C9ALDH1A1 | |
| Putrescine SCHEMBL10842435 | 0.86 | CYP2C9 (0.49) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| SCHEMBL11546476 | 0.86 | CYP2C9 (0.49) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| Valeric Acid SCHEMBL27767030 | 0.85 | ALDH1A1 (0.48) | KMT2ALMNATSHRHDAC11CYP2C9 | |
| SCHEMBL8981419 | 0.84 | CYP2C9 (0.48) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| Succinic Acid SCHEMBL11462893 | 0.84 | KMT2A (0.53) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| Succinic Acid SCHEMBL27928188 | 0.84 | KMT2A (0.53) | KMT2ALMNACYP1A2TSHRCYP2C9 | |
| Glycine SCHEMBL5685912 | 0.84 | CYP2C9 (0.51) | LMNACYP1A2TSHRCYP2C9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105389-A | The methoxy acrylic ester compounds and synthetic method of one kind cation containing triphenyl phosphonium and application | 中国农业大学 | 2019-08-09 | — | — | CN | disclosed |
| EP-0147211-B1 | 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION | SYNTEX (U.S.A.) INC. (US) | 1990-09-12 | — | — | EP | disclosed |
| US-4657893-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1987-04-14 | — | — | US | disclosed |
| EP-0147211-A2 | 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation | SYNTEX (U.S.A.) INC. (US) | 1985-07-03 | — | — | EP | disclosed |