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 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10408640 | 0.92 | TSHR (0.70) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL28909814 | 0.82 | TSHR (0.61) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| Benzene SCHEMBL9751882 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL30307036 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL30812783 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL3409457 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL597672 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL30671620 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL2509 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL125188 | 0.80 | TSHR (1.00) | TSHRSMN1; SMN2ALDH1A1CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4444766-A | ANTITUMOR | BOEHRINGER MANNHEIM GMBH (DE) | 1984-04-24 | — | — | US | disclosed |