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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL2914390 | 0.94 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7355317 | 0.94 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27369787 | 0.94 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL48134 | 0.94 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL6619662 | 0.92 | LMNA (0.61) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL3032586 | 0.91 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7092275 | 0.91 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL5082155 | 0.91 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7096668 | 0.91 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27700453 | 0.91 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6930151-B2 | Star block copolymers comprising polyisobutylene-B-polyacrylonitrile arms radiating from an aromatic core | UNIVERSITY OF AKRON (US) | 2005-08-16 | — | — | US | disclosed |
| US-20030236354-A1 | Star block copolymers comprising polyisobutylene-B-polyacrylonitrile arms radiating from an aromatic core | AKRON, THE UNIVERSITY OF | 2003-12-25 | — | — | US | disclosed |