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 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 3/20 | 0.36 |
| ▸ | MMP7 | P09237 | 3/20 | 0.36 |
| ▸ | MMP12 | P39900 | 3/20 | 0.36 |
| ▸ | MMP13 | P45452 | 3/20 | 0.36 |
| ▸ | ACE | P12821 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1114285 | 0.84 | CYP2D6 (0.44) | SMN1; SMN2TSHRCYP2D6TDP1GAA | |
| Butane SCHEMBL2906063 | 0.82 | TSHR (0.76) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| SCHEMBL28977453 | 0.82 | KMT2A (0.44) | TSHRTDP1HSD17B10KMT2A | |
| Propyne SCHEMBL21434753 | 0.81 | TSHR (0.73) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| Propane SCHEMBL28882618 | 0.80 | TSHR (0.80) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| Propanol SCHEMBL28732212 | 0.79 | TSHR (0.70) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| Hexane SCHEMBL27501792 | 0.79 | TSHR (0.70) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| Alcohol SCHEMBL281881 | 0.78 | TSHR (0.76) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| SCHEMBL27464245 | 0.78 | TSHR (0.76) | SMN1; SMN2TSHRPSIP1CYP2D6POLB | |
| SCHEMBL3719208 | 0.78 | TSHR (0.76) | SMN1; SMN2TSHRPSIP1CYP2D6POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115894502-A | Modified enoate auxiliary agent, preparation method, modified enoate, modified nylon composition and modified nylon | 江苏扬农化工集团有限公司 | 2023-04-04 | — | — | CN | claimed |
| CN-115894502-A | Modified enoate auxiliary agent, preparation method, modified enoate, modified nylon composition and modified nylon | 江苏扬农化工集团有限公司 | 2023-04-04 | — | — | CN | disclosed |