Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Drofenine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 8/20 | 0.95 |
| ▸ | CHRM1 known ✓ | P11229 | 8/20 | 0.95 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.95 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.95 |
| ▸ | CHRM3 known ✓ | P20309 | 7/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.95 |
| ▸ | LMNA | P02545 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.95 |
| ▸ | HTR1A | P08908 | 1/20 | 0.95 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.95 |
| ▸ | DRD1 | P21728 | 1/20 | 0.95 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.95 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.95 |
| ▸ | DRD3 | P35462 | 1/20 | 0.95 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.95 |
| ▸ | TSHR | P16473 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Drofenine SCHEMBL25124 | 0.98 | CHRM2 (1.00) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| Drofenine SCHEMBL446912 | 0.96 | CYP3A4 (1.00) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL10955574 | 0.81 | SLC6A2 (0.70) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL28622583 | 0.80 | SLC6A2 (0.69) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL7489656 | 0.79 | SLC6A2 (0.68) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL28632940 | 0.79 | SLC6A2 (0.67) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL28622638 | 0.79 | SLC6A3 (0.67) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| Bietamiverine SCHEMBL1649328 | 0.79 | CHRM2 (0.95) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| Adiphenine SCHEMBL27972992 | 0.78 | LMNA (0.94) | CHRM2CHRM1CYP3A4LMNACYP1A2 | |
| SCHEMBL28619401 | 0.78 | SLC6A2 (0.66) | CHRM2CHRM1CYP3A4LMNACYP1A2 |
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-114441663-A | Method for screening protein positive compounds by using solid phase microextraction affinity selection mass spectrum | 中国科学院上海药物研究所 | 2022-05-06 | — | — | CN | disclosed |
| US-20190336490-A1 | COMPOSITIONS AND METHODS FOR INCREASING REMYELINATION | Frequency Therapeutics, Inc. | 2019-11-07 | — | — | US | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |