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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.45 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.39 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 9/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27630330 | 0.82 | TSHR (0.55) | TSHRSMN1; SMN2HRH1ALDH1A1CYP2C19 | |
| Piperazine SCHEMBL1589534 | 0.79 | TSHR (0.73) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| Sulfuric Acid SCHEMBL9666895 | 0.79 | GABRA1 (0.48) | TSHRHRH1LMNACYP3A4GABRA1 | |
| SCHEMBL28066644 | 0.79 | TSHR (0.55) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| Pyrrolidine SCHEMBL2940824 | 0.76 | TSHR (0.67) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| Azetidine SCHEMBL28177662 | 0.75 | TSHR (0.73) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| Piperidine SCHEMBL3747941 | 0.74 | SMN1; SMN2 (0.64) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| SCHEMBL8374928 | 0.73 | TSHR (0.94) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| SCHEMBL21404046 | 0.72 | TSHR (0.73) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 | |
| SCHEMBL22283832 | 0.71 | TSHR (0.59) | TSHRSMN1; SMN2ALDH1A1CYP2C19HTR6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0495750-A2 | Heterocyclic hydroxylamine | CIBA-GEIGY AG (CH) | 1992-07-22 | — | — | EP | disclosed |