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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 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 | |
|---|---|---|---|---|
| SCHEMBL148756 | 0.81 | TRPA1 (0.48) | SMN1; SMN2TSHRCYP2D6SRCGABBR2 | |
| E968 SCHEMBL2057352 | 0.80 | TSHR (0.67) | SMN1; SMN2TSHRCYP2D6POLBHSD11B1 | |
| Glycerin SCHEMBL2057406 | 0.80 | TSHR (0.67) | SMN1; SMN2TSHRCYP2D6POLBALDH1A1 | |
| Glycerin SCHEMBL28513363 | 0.80 | TSHR (0.67) | SMN1; SMN2TSHRCYP2D6POLBALDH1A1 | |
| Ethylene Glycol SCHEMBL4329926 | 0.79 | TSHR (0.80) | SMN1; SMN2TSHRCYP2D6POLBHSD11B1 | |
| Ethylene Glycol SCHEMBL4333640 | 0.79 | TSHR (0.80) | SMN1; SMN2TSHRCYP2D6POLBHSD11B1 | |
| SCHEMBL16046203 | 0.78 | TSHR (0.64) | SMN1; SMN2TSHRCYP2D6POLBHSD11B1 | |
| Propylene Glycol SCHEMBL16044401 | 0.78 | TSHR (0.64) | SMN1; SMN2TSHRCYP2D6POLBHSD11B1 | |
| SCHEMBL597672 | 0.78 | TSHR (1.00) | SMN1; SMN2TSHRCYP2D6POLBALDH1A1 | |
| SCHEMBL2509 | 0.78 | TSHR (1.00) | SMN1; SMN2TSHRCYP2D6POLBALDH1A1 |
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 |