Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
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 SCHEMBL1609296 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL11322405 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL242076 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL27492562 | 0.96 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL27491226 | 0.96 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL15348475 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL1405615 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL9466202 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL2479008 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL21490912 | 0.96 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 |
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-4918185-A | Process for carbon-carbon bond formation at the C-4 position of 3-acylaminoazetidinones and products and starting materials therefor | ELI LILLY AND COMPANY (US) | 1990-04-17 | — | — | US | disclosed |
| US-4771135-A | ANTIBIOTIC INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1988-09-13 | — | — | US | disclosed |