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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.35 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MITF | O75030 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11332173 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11341207 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11336631 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11573548 | 0.93 | ALDH1A1 (0.45) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| Maleic Acid SCHEMBL11447588 | 0.92 | NPC1 (0.40) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11446684 | 0.86 | ALDH1A1 (0.51) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11446840 | 0.86 | ALDH1A1 (0.45) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11447829 | 0.86 | ALDH1A1 (0.45) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11465725 | 0.86 | ALDH1A1 (0.45) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11346058 | 0.86 | MEN1 (0.41) | ALDH1A1MITFSMN1; SMN2MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4156014-A | N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression | THE UPJOHN COMPANY (US) | 1979-05-22 | — | — | US | claimed |
| US-RE30837-E | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-12-29 | — | — | US | disclosed |
| US-4199589-A | N-(2-Aminocycloheptyl)acylanilides and methods to treat depression | SZMUSZKOVICZ JACOB (US) | 1980-04-22 | — | — | US | disclosed |
| US-4169156-A | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-09-25 | — | — | US | disclosed |
| US-4159339-A | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4156014-A | N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression | THE UPJOHN COMPANY (US) | 1979-05-22 | — | — | US | disclosed |