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 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 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 SCHEMBL11322405 | 1.00 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL10467735 | 0.98 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL9305273 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL2479008 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL14353113 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL14353557 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL6453722 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL9466202 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL21490912 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRMEN1 | |
| Toluene SCHEMBL15348475 | 0.98 | 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 164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117368370-A | Quality detection method for fructus amomi formula particles | 长沙新林制药有限公司 | 2024-01-09 | — | — | CN | claimed |
| CN-105372338-A | Compound yinlingtong capsule quality detection method | NANJING ZHONGKE PHARMACEUTICAL CO LTD | 2016-03-02 | — | — | CN | claimed |
| CN-103512999-B | The quality determining method of Fufang Huangqin Tablets by HPLC | XINGHU PHARMACEUTICAL MFG. CO., LTD., ZHAOQING (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-104987429-A | Method for separating and extracting compound components of antrodia camphorata | FUJIAN TIANSIDUN BIOTECHNOLOGY CO LTD | 2015-10-21 | — | — | CN | claimed |
| CN-103512999-A | Quality detection method for compound baical skullcap root tablet | ZHAOQING STAR LAKE PHARMACEUTICAL CO LTD | 2014-01-15 | — | — | CN | claimed |
| CN-101564512-B | Quality control method of hyperthyroidism resistance powder | JILIN AODONG GROUP VIGOR PHARMACEUTICAL CO LTD | 2013-03-27 | — | — | CN | claimed |
| CN-101564512-A | Quality control method of hyperthyroidism resistance powder | JILIN AODONG GROUP VIGOR PHARM (CN) | 2009-10-28 | — | — | CN | claimed |
| CN-100344321-C | Medicinal composition, its preparation process and quality control method | HOU FENGXIANG (CN) | 2007-10-24 | — | — | CN | claimed |
| CN-1806845-A | Medicinal composition, its preparation process and quality control method | HOU FENGXIANG (CN) | 2006-07-26 | — | — | CN | claimed |
| CN-117368370-A | Quality detection method for fructus amomi formula particles | 长沙新林制药有限公司 | 2024-01-09 | — | — | CN | disclosed |
| US-11638738-B2 | Process to enhance the bioactivity of Ashwagandha extracts | ANTONY BENNY (IN) | 2023-05-02 | — | — | US | disclosed |
| CN-113125627-B | Detection method for effective components of traditional Chinese medicine composition for treating nephropathy | 云南雷允上理想药业有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-113125627-A | Detection method for effective components of traditional Chinese medicine composition for treating nephropathy | 云南雷允上理想药业有限公司 | 2021-07-16 | — | — | CN | disclosed |
| US-20210113646-A1 | PROCESS TO ENHANCE THE BIOACTIVITY OF ASHWAGANDHA EXTRACTS | ANTONY BENNY (IN) | 2021-04-22 | — | — | US | disclosed |
| US-4374266-A | USED AS CHEMICAL INTERMEDIATES IN MAKING FLUORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-02-15 | — | — | US | disclosed |
| US-4374267-A | USED AS CHEMICAL INTERMEDIATES IN MAKING FLUORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-02-15 | — | — | US | disclosed |
| US-4346219-A | Process for preparing desacetoxycephalosporanic acid | ELI LILLY AND COMPANY (US) | 1982-08-24 | — | — | US | disclosed |
| US-4343951-A | Method for the preparation of fluoroaniline | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1982-08-10 | — | — | US | disclosed |
| EP-0055629-A1 | Process for preparing fluoroanthranilic compounds | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1982-07-07 | — | — | EP | disclosed |
| EP-0055630-A2 | Method for the preparation of fluorophthalamic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1982-07-07 | — | — | EP | disclosed |