Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 6/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769230 | 0.89 | ADRB2 (0.51) | ADRB2LMNAADRB1TSHRHTR1A | |
| SCHEMBL9769240 | 0.89 | ADRB2 (0.51) | ADRB2LMNAADRB1TSHRHTR1A | |
| Hydrochloric Acid SCHEMBL9769304 | 0.76 | BCHE (0.46) | ADRB2LMNAADRB1CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL9769313 | 0.76 | BCHE (0.46) | ADRB2LMNAADRB1CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL9769127 | 0.76 | ADRB1 (0.41) | ADRB2LMNAADRB1TSHRHTR1A | |
| Hydrochloric Acid SCHEMBL9769138 | 0.76 | ADRB1 (0.41) | ADRB2LMNAADRB1TSHRHTR1A | |
| Clenbuterol SCHEMBL4896823 | 0.74 | LMNA (0.79) | ADRB2LMNAADRB1TSHRHTR1A | |
| Hydrochloric Acid SCHEMBL9769281 | 0.74 | ADRB1 (0.39) | ADRB2LMNAADRB1HTR1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL9769269 | 0.74 | ADRB1 (0.39) | ADRB2LMNAADRB1HTR1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL9769128 | 0.74 | KDM4E (0.38) | ADRB2LMNAADRB1TSHRHTR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |