Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Adiphenine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 8/20 | 0.59 |
| ▸ | CHRM2 known ✓ | P08172 | 7/20 | 0.59 |
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.59 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.94 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.94 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.91 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Adiphenine SCHEMBL248213 | 0.97 | LMNA (1.00) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Adiphenine SCHEMBL33478 | 0.95 | CYP3A4 (1.00) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Butetamate SCHEMBL1643343 | 0.82 | KDM4E (0.84) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL28529361 | 0.79 | LMNA (0.64) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Butetamate SCHEMBL8721011 | 0.78 | KDM4E (0.78) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL26100 | 0.78 | CYP3A4 (0.70) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Drofenine SCHEMBL1649803 | 0.78 | CHRM2 (0.95) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| Bietamiverine SCHEMBL1649328 | 0.78 | CHRM2 (0.95) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL9588277 | 0.78 | KDM4E (0.78) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL9588408 | 0.77 | KDM4E (0.76) | LMNACYP1A2CYP2D6CYP3A4ALDH1A1 |
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-104026134-B | A kind of wood floors Bactericidal cleaner | CHUZHOU SMET COMPOUND MATERIALS CO., LTD. (CN) | 2015-09-23 | — | — | CN | disclosed |
| CN-104026134-A | Wooden floor bactericidal detergent | CHUZHOU SMET COMPOUND MATERIALS CO LTD | 2014-09-10 | — | — | CN | disclosed |