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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 9/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
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 SCHEMBL6538388 | 1.00 | TSHR (0.41) | TSHRALDH1A1LMNAALOX12ACHE | |
| SCHEMBL22105646 | 0.86 | TAS2R14 (0.40) | TSHRALDH1A1KIF11TACR1P2RX1 | |
| SCHEMBL15065839 | 0.84 | ALDH1A1 (0.48) | TSHRALDH1A1KIF11TACR1P2RX1 | |
| SCHEMBL5909720 | 0.84 | ALDH1A1 (0.48) | TSHRALDH1A1KIF11TACR1P2RX1 | |
| Benzene SCHEMBL30336225 | 0.84 | TSHR (0.43) | TSHRALDH1A1LMNAKIF11TACR1 | |
| SCHEMBL3139818 | 0.84 | NFE2L2 (0.39) | TSHRALDH1A1KIF11NFE2L2TACR1 | |
| SCHEMBL3132670 | 0.84 | NFE2L2 (0.39) | TSHRALDH1A1KIF11NFE2L2TACR1 | |
| SCHEMBL25633935 | 0.82 | TAS2R14 (0.40) | TSHRALDH1A1LMNAKIF11NFE2L2 | |
| Silver SCHEMBL1450694 | 0.82 | CES2 (0.42) | TSHRALDH1A1LMNAKIF11IDO1 | |
| SCHEMBL3132765 | 0.81 | PTPN5 (0.35) | TSHRALDH1A1KIF11NFE2L2TACR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6936672-B2 | Mold addition polymerization of norbornene-type monomers using group 10 metal complexes | SUMITOMO BAKELITE CO., LTD. (JP) | 2005-08-30 | — | — | US | claimed |
| EP-1155057-B1 | IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES | SUMITOMO BAKELITE CO (JP) | 2005-06-22 | — | — | EP | claimed |
| US-20030120006-A1 | In mold addition polymerization of norbornene-type monomers using group 10 metal complexes | THE B.F. GOODRICH COMPANY | 2003-06-26 | — | — | US | claimed |
| US-6350832-B1 | CATALYTIC COSSLINKING POLYMER OF POLYCYCLOOLEFIN MONOMER, MOLDING AND SHAPING IN THE PRESENCE OF GROUP 10 TRANSITION METAL AND ANION | THE B. F. GOODRICH COMPANY | 2002-02-26 | — | — | US | claimed |
| EP-1155057-A1 | IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES | The B.F.Goodrich Co. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000034344-A1 | IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES | THE B.F.GOODRICH COMPANY (US) | 2000-06-15 | — | — | WO | claimed |