Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29036131 | 0.96 | TSHR (0.49) | TSHRKDM4EALDH1A1MAPTTDP1 | |
| SCHEMBL2396708 | 0.88 | TSHR (0.50) | TSHRKDM4EALDH1A1MAPTTDP1 | |
| SCHEMBL4358626 | 0.87 | FDPS (0.42) | TSHRKDM4EHTTL3MBTL1KMT2A | |
| SCHEMBL29402099 | 0.86 | TSHR (0.53) | TSHRKDM4EALDH1A1MAPTTDP1 | |
| Sulfuric Acid SCHEMBL28791427 | 0.86 | FDPS (0.41) | TSHRKDM4EHTTL3MBTL1KMT2A | |
| SCHEMBL4945553 | 0.83 | FDPS (0.43) | TSHRKDM4EHTTL3MBTL1KMT2A | |
| SCHEMBL5091012 | 0.82 | TSHR (0.54) | TSHRKDM4EALDH1A1MAPTTDP1 | |
| Hydrochloric Acid SCHEMBL28411246 | 0.81 | FDPS (0.42) | TSHRKDM4EHTTL3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL30158443 | 0.81 | FDPS (0.42) | TSHRKDM4EHTTL3MBTL1KMT2A | |
| Sulfuric Acid SCHEMBL28041924 | 0.81 | FDPS (0.42) | TSHRKDM4EHTTL3MBTL1KMT2A |
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-115282757-A | Functionalized ionic liquid for absorbing VOC (volatile organic compounds) and preparation method thereof | 河南省化工研究所有限责任公司 | 2022-11-04 | — | — | CN | claimed |
| CN-115282757-A | Functionalized ionic liquid for absorbing VOC (volatile organic compounds) and preparation method thereof | 河南省化工研究所有限责任公司 | 2022-11-04 | — | — | CN | disclosed |