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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 3/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 SCHEMBL27515858 | 1.00 | ACHE (0.55) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL6287128 | 1.00 | ACHE (0.55) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL5351746 | 0.97 | ACHE (0.58) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL11745380 | 0.97 | ACHE (0.58) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL11742214 | 0.97 | ACHE (0.58) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL19630416 | 0.89 | TSHR (0.44) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL27788652 | 0.87 | ACHE (0.46) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL28394519 | 0.84 | TSHR (0.61) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL28473844 | 0.84 | TSHR (0.61) | ACHETSHRLMNAALOX12HSD17B10 | |
| Toluene SCHEMBL574733 | 0.84 | TSHR (0.61) | ACHETSHRLMNAALOX12HSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6902679-B2 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2005-06-07 | — | — | US | claimed |
| US-20030066806-A1 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC | 2003-04-10 | — | — | US | claimed |
| CN-1398794-A | Treatment of water containing waste organic matter with nitrate of aromatic amine | AIR PROD & CHEM (US) | 2003-02-26 | — | — | CN | claimed |
| EP-1243562-A2 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-09-25 | — | — | EP | claimed |
| US-6902679-B2 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2005-06-07 | — | — | US | disclosed |
| US-20030066806-A1 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC | 2003-04-10 | — | — | US | disclosed |
| CN-1398794-A | Treatment of water containing waste organic matter with nitrate of aromatic amine | AIR PROD & CHEM (US) | 2003-02-26 | — | — | CN | disclosed |
| CN-1382645-A | Utilizing aromatic ammonium nitrate salt for treatment of water contg. organic refuse | AIR PROD & CHEM (US) | 2002-12-04 | — | — | CN | disclosed |
| EP-1243562-A2 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1243563-A2 | Treatment of water containing organic wastes with aromatic amine nitrate salts | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6379562-B1 | WET OXIDATION; CORROSION RESISTANCE | ATR PRODUCTS AND CHEMICALS, INC. | 2002-04-30 | — | — | US | disclosed |