Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | P22303 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | KIF11 | P52732 | 7/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL27303227 | 0.88 | LMNA (0.61) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL2399267 | 0.88 | LMNA (0.61) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL27865820 | 0.88 | ACHE (0.69) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL4774666 | 0.88 | ACHE (0.69) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL28313435 | 0.87 | — | — | |
| Toluene SCHEMBL9815551 | 0.86 | TSHR (0.58) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL29163622 | 0.86 | LMNA (0.58) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL27301017 | 0.86 | LMNA (0.58) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL29048607 | 0.86 | TSHR (0.58) | ACHETSHRALOX12LMNAKIF11 | |
| Toluene SCHEMBL28417753 | 0.85 | ACHE (0.65) | ACHETSHRALOX12LMNAKIF11 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107433194-A | A kind of preparation method of uremic toxins's adsorbent | 蒋丽红 | 2017-12-05 | — | — | CN | claimed |
| CN-107159136-A | A kind of preparation method of blood toxicity adsorbent | 蒋丽红 | 2017-09-15 | — | — | CN | claimed |
| WO-2023111597-A1 | THERAPEUTIC OLIGONUCLEOTIDES HAVING AN INTER-NUCLEOSIDE AMIDE LINKAGE | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2023-06-22 | — | — | WO | disclosed |
| CN-105886001-B | Lubricating oil based on nitrogen-containing surface modifier modified graphene and preparation method thereof | 闫立群 | 2020-04-07 | — | — | CN | disclosed |
| CN-109880608-A | Long-acting anti-scaling oil displacement fracturing agent and preparation and use methods thereof | 中国石油天然气股份有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109535128-A | A kind of preparation method of polymerized hindered amine light stabilizer HA-88 and its intermediate | 天津利安隆新材料股份有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-107529753-A | The synthesis of circular muscle acid and the like | 卢莫斯制药公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-107433194-A | A kind of preparation method of uremic toxins's adsorbent | 蒋丽红 | 2017-12-05 | — | — | CN | disclosed |
| CN-107159136-A | A kind of preparation method of blood toxicity adsorbent | 蒋丽红 | 2017-09-15 | — | — | CN | disclosed |
| CN-107001280-A | The synthesis of circular muscle acid and the like | 卢莫斯制药公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106883900-A | The lube oil additive of the graphene oxide based on nitrogen-containing compound surface modification, lubricating oil and application | 闫立群 | 2017-06-23 | — | — | CN | disclosed |
| US-6379266-B1 | MULTILAYER; CORE, OXYGEN BARRIER, WINDING LAYER AND POLYURETHANE COVERINGS | CALLAWAY GOLF COMPANY | 2002-04-30 | — | — | US | disclosed |
| US-6336869-B1 | HEAD COMPRISING BODY WITH RECESSED FRONT FACE, INSERT WITHIN RECESS HAVING EXTERIOR AND INTERIOR SURFACES COMPRISING THERMOSETTING POLYURETHANE WITH SPECIFIED HARDNESS AND REBOUND, LOW DENSITY SUPPORT, ISOLATION LAYER, WEIGHT BODY | CALLAWAY GOLF COMPANY | 2002-01-08 | — | — | US | disclosed |
| US-6328661-B1 | Multiple material golf club head with a polymer insert face | MICHAEL A. CATANIA | 2001-12-11 | — | — | US | disclosed |
| WO-2001070341-A1 | MULTIPLE PIECE GOLF BALL | CALLAWAY GOLF COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |
| US-6273831-B1 | A BODY WITH FRONT FACE RECESSES HAVING A THERMOSET POLYURETHANE FROM PARA-PHENYLENE DIISOCYANATE TERMINATED POLYETHER PREPOLYMER AND A BLEND OF DIOLS INSERT DISPOSED WITHIN | CALLAWAY GOLF COMPANY | 2001-08-14 | — | — | US | disclosed |
| EP-1100595-A1 | GOLF BALL HAVING A POLYURETHANE COVER | CALLAWAY GOLF COMPANY (US) | 2001-05-23 | — | — | EP | disclosed |
| US-6190268-B1 | COMPOSED OF A BLEND OF POLYURETHANE PREPOLYMERS | CALLAWAY GOLF COMPANY | 2001-02-20 | — | — | US | disclosed |
| WO-2000062869-A1 | GOLF BALL HAVING A POLYURETHANE COVER | CALLAWAY GOLF COMPANY (US) | 2000-10-26 | — | — | WO | disclosed |
| US-6117024-A | Golf ball with polyurethane cover | CALLAWAY GOLF COMPANY (US) | 2000-09-12 | — | — | US | disclosed |