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 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP7 | P09237 | 3/20 | 0.38 |
| ▸ | MMP12 | P39900 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL306554 | 0.85 | ALDH1A1 (0.42) | TSHRSMN1; SMN2TDP1CYP2D6ALDH1A1 | |
| Hexane SCHEMBL27501792 | 0.84 | TSHR (0.70) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29109142 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29277553 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Undecane SCHEMBL28277513 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Octane SCHEMBL8591856 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Heptane SCHEMBL18585529 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL29109146 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Decane SCHEMBL3917036 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Tridecane SCHEMBL28310272 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB |
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-2019163964-A1 | POLYCARBONATE RESIN AND METHOD FOR MANUFACTURING SAME | 帝人株式会社 | 2019-08-29 | — | — | WO | disclosed |