Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27819482 | 0.97 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL3973761 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL2778247 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL28004426 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL7528835 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL6518752 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL5070325 | 0.92 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL7340462 | 0.90 | ALOX12 (0.58) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL5574430 | 0.87 | ALOX12 (0.55) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL2780838 | 0.84 | ALOX12 (0.58) | ALOX12ACHELMNATSHRCA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170209489-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | UNIV YALE (US) | 2017-07-27 | — | — | US | claimed |
| WO-2015153552-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | YALE UNIVERSITY (US) | 2015-10-08 | — | — | WO | claimed |
| US-20170209489-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | UNIV YALE (US) | 2017-07-27 | — | — | US | disclosed |
| WO-2015153552-A1 | FAST ACTING INHIBITOR OF GASTRIC ACID SECRETION WITH ENHANCED ACTIVITY | YALE UNIVERSITY (US) | 2015-10-08 | — | — | WO | disclosed |
| US-6025504-A | CATALYTIC REACTION BETWEEN GLYCEROL AND UREA, WITH REMOVAL OF AMMONIA AS IT IS FORMED | ORGANISATION NATIONALE INTERPROFESSIONNELLE DES OLEAGINEUX (O.N.I.D.OL.) (FR) | 2000-02-15 | — | — | US | disclosed |