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 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11088605 | 0.82 | TSHR (0.48) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| Methoxymethane SCHEMBL5149424 | 0.80 | TSHR (0.80) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| SCHEMBL16046203 | 0.79 | TSHR (0.64) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| Propylene Glycol SCHEMBL16044401 | 0.79 | TSHR (0.64) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| SCHEMBL11081261 | 0.79 | SMN1; SMN2 (0.53) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| Alcohol SCHEMBL281881 | 0.78 | TSHR (0.76) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| SCHEMBL11082883 | 0.78 | TSHR (0.52) | SMN1; SMN2TSHRCYP2D6POLBCYP2C9 | |
| SCHEMBL11079288 | 0.78 | TSHR (0.42) | SMN1; SMN2TSHRPOLBPSIP1CYP2C9 | |
| E968 SCHEMBL2057352 | 0.77 | TSHR (0.67) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 | |
| Glycerin SCHEMBL28513363 | 0.77 | TSHR (0.67) | SMN1; SMN2TSHRCYP2D6POLBPSIP1 |
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 |