Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3374406 | 0.87 | CYP3A4 (0.56) | CYP2C19SMN1; SMN2ALOX12HPGDALDH1A1 | |
| SCHEMBL3376487 | 0.84 | EPHX2 (0.57) | CYP2C19SMN1; SMN2ALOX12HPGDALDH1A1 | |
| SCHEMBL16935866 | 0.75 | ALOX12 (0.52) | CYP2C19CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7353744 | 0.73 | GAA (0.75) | CYP2C19CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL3372136 | 0.73 | CYP3A4 (0.57) | CYP2C19CYP2C9SMN1; SMN2ALOX12HPGD | |
| Ethylenediamine SCHEMBL4062109 | 0.72 | KIF11 (0.60) | CYP2C19CYP1A2CYP2D6CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL1128739 | 0.72 | GAA (0.72) | CYP2C19CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL9080 | 0.71 | GAA (0.66) | CYP2C19TSHRSMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL21376367 | 0.71 | ALOX12 (0.63) | SMN1; SMN2ALOX12HPGDALDH1A1L3MBTL1 | |
| SCHEMBL22621290 | 0.71 | ALOX12 (0.52) | CYP2C19SMN1; SMN2ALOX12HPGDALDH1A1 |
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-102286179-A | Butyl rubber compounds comprising a mixed modifier system | — | 2011-12-21 | — | — | CN | disclosed |
| CN-101827888-A | Butyl rubber compound comprising a three-component mixed modifier system | LANXESS INC | 2010-09-08 | — | — | CN | disclosed |