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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | NT5E | P21589 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL138895 | 0.89 | CA2 (0.58) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL28760627 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL17456525 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL10359279 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL8058040 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL1115426 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| Water SCHEMBL2134977 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL17456405 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| Iodide SCHEMBL1361736 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 | |
| SCHEMBL11427595 | 0.87 | CA1 (0.56) | TSHRSMN1; SMN2TDP1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013987-A1 | USE OF PERACETIC ACID TO REMOVE MANGANESE DIOXIDE FROM FIBERS | FMC CORPORATION (US) | 1992-08-20 | — | — | WO | disclosed |