Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.67 |
| ▸ | MAOB | P27338 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | DRD5 | P21918 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL6520165 | 0.90 | MAOA (0.77) | MAOAMAOBMEN1KMT2ATSHR | |
| SCHEMBL6524885 | 0.89 | MAOA (0.61) | MAOAMAOBMEN1KMT2ATSHR | |
| Sulfuric Acid SCHEMBL6520169 | 0.85 | MAOA (0.69) | MAOAMAOBMEN1KMT2ATSHR | |
| Sulfuric Acid SCHEMBL174314 | 0.84 | DRD1 (0.65) | MAOAMAOBTSHRDRD1DRD5 | |
| SCHEMBL22283827 | 0.83 | TSHR (0.57) | MAOAMAOBTSHRSMN1; SMN2DRD1 | |
| SCHEMBL29390912 | 0.82 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 | |
| SCHEMBL98108 | 0.82 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL1374351 | 0.80 | TSHR (0.64) | TSHRSMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL6521382 | 0.80 | HTR7 (0.61) | MEN1KMT2ADRD2DRD3HTR7 | |
| Hydrochloric Acid SCHEMBL23501375 | 0.80 | MAOA (1.00) | MAOAMAOBDRD1DRD5DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2274056-B1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOCHINOLINIUM DERIVATIVES, SPECIFIC ALKANOLAMINES AND HYDROGEN PEROXYDE | HENKEL AG & CO KGAA (DE) | 2012-10-03 | — | — | EP | claimed |
| US-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | GROSS WIBKE | 2011-03-10 | — | — | US | claimed |
| US-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | GROSS WIBKE | 2011-03-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110056508-A1 | BLEACHING AGENT COMPRISING CATIONIC 3,4-DIHYDROISOQUINOLINE DERIVATIVES, SPECIAL ALKANOL AMINES AND HYDROGEN PEROXIDE | KRT18, H1-3, H1-2 | DRD2 791/4885MAOA 74/4885MAOB 66/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.