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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28840031 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MCHR1CYP2D6CNR2PKM | |
| SCHEMBL28226770 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MCHR1CYP2D6CNR2PKM | |
| SCHEMBL28365499 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MCHR1CYP2D6CNR2PKM | |
| SCHEMBL2760739 | 0.95 | CYP2D6 (0.41) | ALDH1A1MCHR1CYP2D6PKMKMT2A | |
| SCHEMBL28422410 | 0.88 | TSHR (0.42) | ALDH1A1MMP1MMP7MMP13TSHR | |
| SCHEMBL29043454 | 0.87 | CYP2D6 (0.40) | ALDH1A1CYP2D6PKMKMT2AMEN1 | |
| SCHEMBL28366311 | 0.86 | CYP2D6 (0.40) | ALDH1A1CYP2D6PKMKMT2AMEN1 | |
| SCHEMBL29110895 | 0.85 | CYP2D6 (0.39) | ALDH1A1CYP2D6PKMKMT2AL3MBTL1 | |
| SCHEMBL28977616 | 0.85 | TDP1 (0.49) | ALDH1A1MMP1MMP3MMP7MMP9 | |
| SCHEMBL2761059 | 0.85 | CYP2D6 (0.44) | ALDH1A1CYP2D6PKMKMT2AL3MBTL1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110819445-B | Method for removing polycyclic aromatic hydrocarbon from grease | 丰益(上海)生物技术研发中心有限公司 | 2023-05-02 | — | — | CN | claimed |
| CN-113004113-A | Method for separating cyclohexane and KA oil by taking ionic liquid as extracting agent | 广东工业大学 | 2021-06-22 | — | — | CN | claimed |
| CN-111073735-B | Method for preparing low-pour-point biological lubricating oil from green modified plant-based derived oil | 北京化工大学 | 2021-04-02 | — | — | CN | claimed |
| CN-111073735-A | Method for preparing low-pour-point biological lubricating oil from green modified plant-based derived oil | 北京化工大学 | 2020-04-28 | — | — | CN | claimed |
| CN-110819445-A | Method for removing polycyclic aromatic hydrocarbon from grease | 丰益(上海)生物技术研发中心有限公司 | 2020-02-21 | — | — | CN | claimed |
| CN-116693478-B | Method for preparing 2, 3-benzofuran by using halogen acid catalytic furoic acid one-pot method | 浙江大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-116693478-A | Method for preparing 2,3-benzofuran by using halogen acid catalytic furoic acid one-pot method | 浙江大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-110819445-B | Method for removing polycyclic aromatic hydrocarbon from grease | 丰益(上海)生物技术研发中心有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-113004113-A | Method for separating cyclohexane and KA oil by taking ionic liquid as extracting agent | 广东工业大学 | 2021-06-22 | — | — | CN | disclosed |
| CN-111073735-B | Method for preparing low-pour-point biological lubricating oil from green modified plant-based derived oil | 北京化工大学 | 2021-04-02 | — | — | CN | disclosed |
| CN-111073735-A | Method for preparing low-pour-point biological lubricating oil from green modified plant-based derived oil | 北京化工大学 | 2020-04-28 | — | — | CN | disclosed |
| CN-110819445-A | Method for removing polycyclic aromatic hydrocarbon from grease | 丰益(上海)生物技术研发中心有限公司 | 2020-02-21 | — | — | CN | disclosed |