Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NQO2 | P16083 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL27324626 | 0.89 | MAPT (0.54) | MAPTKMT2AKIF11TDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL28641423 | 0.87 | MAPT (0.52) | MAPTKMT2AKIF11TDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL27919060 | 0.84 | MAPT (0.54) | MAPTKMT2AKIF11TDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL27449728 | 0.82 | MAPT (0.56) | MAPTKMT2AKIF11TDP1L3MBTL1 | |
| Trifluoromethylbenzene SCHEMBL27320327 | 0.82 | ALDH1A1 (0.56) | MAPTKMT2AKIF11SRD5A2RAB9A | |
| Tert-Butylbenzene SCHEMBL28056126 | 0.79 | MAPT (0.55) | MAPTKMT2AEPHX1TNFKLF5 | |
| Tert-Butylbenzene SCHEMBL309340 | 0.79 | LMNA (0.55) | MAPTKMT2ATDP1L3MBTL1CYP2C19 | |
| Tert-Butylbenzene SCHEMBL4600559 | 0.78 | MAPT (0.46) | MAPTKMT2AKIF11TDP1L3MBTL1 | |
| Biphenyl SCHEMBL2256875 | 0.78 | NQO2 (0.55) | MAPTNQO2TDP1L3MBTL1CYP2C19 | |
| Tert-Butylbenzene SCHEMBL28772872 | 0.78 | MAPT (0.46) | MAPTKMT2AKIF11TDP1L3MBTL1 |
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-106255487-A | There is the oral care composition of the stability of improvement | 宝洁公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-1705642-A | Novel N-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same | DIGITAL BIOTECH CO LTD (KR) | 2005-12-07 | — | — | CN | disclosed |