Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.36 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.36 |
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 SCHEMBL9136056 | 0.88 | LMNA (0.65) | TSHRLMNAALOX12ACHETDP1 | |
| Toluene SCHEMBL434901 | 0.88 | ACHE (0.65) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL10708736 | 0.88 | LMNA (0.65) | TSHRLMNAALOX12ACHETDP1 | |
| Toluene SCHEMBL27549992 | 0.86 | ALDH1A1 (0.41) | TSHRLMNAALOX12ACHETDP1 | |
| Toluene SCHEMBL27614086 | 0.85 | ACHE (0.61) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27680499 | 0.85 | ACHE (0.61) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27623492 | 0.85 | ACHE (0.61) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27945578 | 0.85 | ACHE (0.61) | TSHRLMNAALOX12ACHENAPRT | |
| SCHEMBL19443810 | 0.85 | TSHR (0.61) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27304983 | 0.85 | ACHE (0.61) | TSHRLMNAALOX12ACHENAPRT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109142605-A | A kind of residual ethanol toluene pyridine limit test method in benzoic methyl nitroazole | 湖北省宏源药业科技股份有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-109142605-A | A kind of residual ethanol toluene pyridine limit test method in benzoic methyl nitroazole | 湖北省宏源药业科技股份有限公司 | 2019-01-04 | — | — | CN | disclosed |