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 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | ALPI | P09923 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 3/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 4/20 | 0.30 |
| ▸ | MMP9 | P14780 | 3/20 | 0.30 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.30 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7796466 | 1.00 | TSHR (0.36) | TSHRSMN1; SMN2SORT1ALDH1A1CYP2C19 | |
| SCHEMBL8169347 | 0.93 | CYP2D6 (0.38) | SMN1; SMN2ALDH1A1PKMMAPTMMP9 | |
| SCHEMBL7789502 | 0.93 | CYP2D6 (0.38) | SMN1; SMN2ALDH1A1PKMMAPTMMP9 | |
| SCHEMBL8175698 | 0.93 | CYP2D6 (0.38) | SMN1; SMN2ALDH1A1PKMMAPTMMP9 | |
| SCHEMBL8174696 | 0.91 | SORT1 (0.35) | SORT1ALDH1A1PKMALPIPTGS1 | |
| SCHEMBL7789574 | 0.91 | SORT1 (0.35) | SORT1ALDH1A1PKMALPIPTGS1 | |
| SCHEMBL7797908 | 0.88 | SORT1 (0.39) | SMN1; SMN2SORT1ALDH1A1PKMALPI | |
| SCHEMBL8178047 | 0.88 | SORT1 (0.39) | SMN1; SMN2SORT1ALDH1A1PKMALPI | |
| SCHEMBL7789573 | 0.88 | SORT1 (0.39) | SMN1; SMN2SORT1ALDH1A1PKMALPI | |
| SCHEMBL8175477 | 0.88 | SORT1 (0.39) | SMN1; SMN2SORT1ALDH1A1PKMALPI |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750717-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-12 | — | — | US | claimed |
| US-6018069-A | 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-01-25 | — | — | US | disclosed |
| US-5962692-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-05 | — | — | US | disclosed |
| US-5750717-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0748801-A1 | 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-18 | — | — | EP | disclosed |