Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10719054 | 0.81 | DPP4 (0.50) | DPP4F2LMNA | |
| Hydrochloric Acid SCHEMBL11260256 | 0.79 | DPP4 (0.48) | DPP4F2LMNA | |
| SCHEMBL9141560 | 0.76 | MAPT (0.38) | HTR1AMAOASLC6A2SLC6A4ADRA1A | |
| SCHEMBL9367158 | 0.72 | BCHE (0.47) | HTR1AMAOASLC6A2SLC6A4ADRA1A | |
| SCHEMBL2531547 | 0.72 | APOBEC3A (0.56) | HTR1AMAOASLC6A2SLC6A4ADRA1A | |
| SCHEMBL15512134 | 0.71 | CA1 (0.35) | TSHRCA1CA2 | |
| SCHEMBL9220191 | 0.70 | NR1I2 (0.41) | MMP13 | |
| SCHEMBL9719464 | 0.70 | NR1I2 (0.41) | MMP13 | |
| Mefenidramium SCHEMBL2733727 | 0.70 | SCN1A (0.73) | HTR1ASLC6A2SLC6A4ADRA1ASLC6A3 | |
| SCHEMBL32679257 | 0.70 | TDP1 (0.42) | BCHEACHECYP3A4TSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0163854-B1 | PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS | BAYER AG (DE) | 1991-02-27 | — | — | EP | disclosed |
| EP-0163854-A2 | Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds | BAYER AG (DE) | 1985-12-11 | — | — | EP | disclosed |