Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of P-Xylene. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2962482 | 0.98 | GAA (0.45) | GAACA12CA9CA1CA2 | |
| SCHEMBL7133269 | 0.98 | CA12 (0.47) | GAACA12CA9CA1CA2 | |
| SCHEMBL64189 | 0.98 | CA12 (0.47) | GAACA12CA9CA1CA2 | |
| SCHEMBL2955936 | 0.96 | GAA (0.46) | GAACA12CA9CA1CA2 | |
| SCHEMBL3144525 | 0.96 | CA12 (0.46) | GAACA12CA9CA1CA2 | |
| SCHEMBL2964104 | 0.96 | CA12 (0.46) | GAACA12CA9CA1CA2 | |
| SCHEMBL137132 | 0.90 | HTR6 (0.46) | CA12CA9CA1CA2SMN1; SMN2 | |
| SCHEMBL3136301 | 0.88 | LMNA (0.43) | GAACA12CA9CA1CA2 | |
| SCHEMBL547499 | 0.88 | ACHE (0.42) | GAACA12CA9CA1CA2 | |
| SCHEMBL3135344 | 0.88 | LMNA (0.43) | GAACA12CA9CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8557509-B2 | Negative resist composition, patterning process, and testing process and preparation process of negative resist composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-10-15 | — | — | US | disclosed |
| EP-2253996-A1 | Negative resist composition, patterning process, and testing process and preparation process of negative resist composition | Shin-Etsu Chemical Co., Ltd. (JP) | 2010-11-24 | — | — | EP | disclosed |
| US-20100291484-A1 | Negative resist composition, patterning process, and testing process and preparation process of negative resist composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-11-18 | — | — | US | disclosed |