Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Alloclamide. 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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 11/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Alloclamide SCHEMBL872157 | 0.98 | MCHR1 (0.53) | MCHR1ALDH1A1LMNAADRA2ACYP2D6 | |
| Alloclamide SCHEMBL29730070 | 0.98 | MCHR1 (0.53) | MCHR1ALDH1A1LMNAADRA2ACYP2D6 | |
| Alloclamide SCHEMBL209095 | 0.97 | MCHR1 (0.52) | MCHR1ALDH1A1LMNAADRA2ACYP2D6 | |
| SCHEMBL30391813 | 0.87 | HPGD (0.50) | MCHR1ALDH1A1LMNACYP1A2TSHR | |
| Alloclamide SCHEMBL8373374 | 0.83 | MCHR1 (0.43) | MCHR1ALDH1A1LMNAADRA2ACYP2D6 | |
| Flualamide SCHEMBL29804765 | 0.82 | MCHR1 (0.58) | MCHR1ALDH1A1LMNASLC22A1TSHR | |
| Flualamide SCHEMBL2734613 | 0.82 | MCHR1 (0.58) | MCHR1ALDH1A1LMNASLC22A1TSHR | |
| SCHEMBL6365174 | 0.82 | LIG1 (0.60) | MCHR1ALDH1A1LMNASLC22A1TSHR | |
| SCHEMBL30358593 | 0.81 | GAA (0.53) | LMNACYP1A2TSHRGAARAB9A | |
| SCHEMBL10656342 | 0.78 | ADRA2A (0.49) | MCHR1ALDH1A1LMNAADRA2ACYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1057670-C | Prolonged release preparation and polymers thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-10-25 | — | — | CN | disclosed |
| CN-1116212-A | Prolonged release preparation and polymers thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-02-07 | — | — | CN | disclosed |