Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 known ✓ | P22303 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
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 SCHEMBL8635446 | 0.95 | LMNA (0.58) | LMNAALOX12TSHRACHEPCSK9 | |
| Heptane SCHEMBL4956557 | 0.93 | LMNA (0.50) | LMNAALOX12TSHRACHEPCSK9 | |
| Heptane SCHEMBL3728317 | 0.93 | LMNA (0.55) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL8981699 | 0.91 | LMNA (0.52) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL18640410 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL6257976 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL1549759 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL2990240 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL10941851 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 | |
| Toluene SCHEMBL80497 | 0.90 | TSHR (0.65) | LMNAALOX12TSHRACHEPCSK9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631332-A | Curing agents for epoxy resins comprising bis(aminomethyl)bicyclo[2.2.1]heptane adducts | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-05-20 | — | — | US | disclosed |