Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | UQCRB | P14927 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL12477742 | 0.95 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Tert-Butylbenzene SCHEMBL9799051 | 0.88 | HSD11B1 (0.47) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Tert-Butylbenzene SCHEMBL27467515 | 0.86 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Tert-Butylbenzene SCHEMBL27450291 | 0.85 | TSHR (0.67) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Tert-Butylbenzene SCHEMBL11653728 | 0.85 | ALDH1A1 (0.48) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Tert-Butylbenzene SCHEMBL29741529 | 0.84 | MAPK1 (0.52) | ALDH1A1MAPTKMT2ATDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL309340 | 0.84 | LMNA (0.55) | ALDH1A1RAB9AMAPTKMT2ATDP1 | |
| Tert-Butylbenzene SCHEMBL5921915 | 0.84 | MAPK1 (0.52) | ALDH1A1MAPTKMT2ATDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL66109 | 0.83 | HSD11B1 (0.50) | ALDH1A1RAB9ANPC1RECQLMAPT | |
| Sulfuric Acid SCHEMBL27604955 | 0.83 | ESR1 (0.60) | ALDH1A1RAB9ANPC1RECQLMAPT |
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-108576835-B | Juicing device used in fruit and vegetable processing and working method thereof | 徐州工程学院 | 2021-03-19 | — | — | CN | claimed |
| CN-108576835-B | Juicing device used in fruit and vegetable processing and working method thereof | 徐州工程学院 | 2021-03-19 | — | — | CN | disclosed |