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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL27305425 | 0.86 | TSHR (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Allyl Alcohol SCHEMBL27867941 | 0.86 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Propene SCHEMBL11422813 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL28810412 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Propene SCHEMBL6243344 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Propene SCHEMBL436529 | 0.85 | TSHR (0.73) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Propane SCHEMBL28882618 | 0.85 | TSHR (0.80) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| Allylamine SCHEMBL11208723 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL379584 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2TDP1PSIP1POLB | |
| SCHEMBL2839261 | 0.84 | TSHR (0.64) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137284-B2 | HIGHLY BRANCHED SULFONATES FOR DRIVE-LINE APPLICATIONS | LUBRIZOL CORP (US) | 2023-06-14 | — | — | EP | disclosed |
| EP-0524195-A1 | FUEL OIL COMPOSITIONS | EXXON CHEMICAL LIMITED (GB) | 1993-01-27 | — | — | EP | disclosed |
| WO-1991013951-A1 | FUEL OIL COMPOSITIONS | EXXON CHEMICAL PATENTS INC. (US) | 1991-09-19 | — | — | WO | disclosed |