Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Nonane SCHEMBL10388422 | 0.89 | TSHR (0.56) | LMNAKDM4ETSHRMEN1KMT2A | |
| Dodecane SCHEMBL28192322 | 0.89 | TSHR (0.56) | LMNAKDM4ETSHRMEN1KMT2A | |
| Undecane SCHEMBL27492416 | 0.89 | TSHR (0.56) | LMNAKDM4ETSHRMEN1KMT2A | |
| 1,2-Dichlorobenzene SCHEMBL7513099 | 0.89 | TSHR (0.56) | LMNAKDM4ETSHRMEN1KMT2A | |
| Biphenyl SCHEMBL10583603 | 0.80 | MEN1 (0.43) | LMNAKDM4ETSHRMEN1KMT2A | |
| Biphenyl SCHEMBL28529890 | 0.80 | MEN1 (0.43) | LMNAKDM4ETSHRMEN1KMT2A | |
| Toluene SCHEMBL28392617 | 0.78 | LMNA (0.48) | LMNATSHRMEN1KMT2ATP53 | |
| 1,2-Dichlorobenzene SCHEMBL7821653 | 0.78 | LMNA (0.56) | LMNAKDM4ETSHRMEN1KMT2A | |
| 1,2-Dichlorobenzene SCHEMBL27912052 | 0.77 | TSHR (0.55) | LMNAKDM4ETSHRMEN1KMT2A | |
| Heptane SCHEMBL4432527 | 0.76 | LMNA (0.50) | LMNAKDM4ETSHRMEN1KMT2A |
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-102775273-A | Bifurcate alkyl chain and preparation and application thereof in organic conjugated molecules | UNIV BEIJING | 2012-11-14 | — | — | CN | disclosed |