Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Tetradecane. 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | NAAA | Q02083 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Pentadecane SCHEMBL27853678 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| SCHEMBL29109142 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Undecane SCHEMBL28277513 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Nonane SCHEMBL28277510 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| SCHEMBL29277553 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Decane SCHEMBL3917036 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Octane SCHEMBL8591856 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| SCHEMBL29109146 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Heptane SCHEMBL18585529 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 | |
| Tridecane SCHEMBL28310272 | 1.00 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRTDP1PSIP1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109970979-A | A kind of siloxy group bituminous concrete antistripping agent and preparation method thereof | 中国水利水电科学研究院 | 2019-07-05 | — | — | CN | disclosed |