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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.57 |
| ▸ | PTPN6 | P29350 | 5/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.57 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.48 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.48 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL6481181 | 0.88 | ACHE (0.60) | CYP2D6PTPN1PTPN6PTPN11KMT2A | |
| Nitrobenzene SCHEMBL660753 | 0.87 | ACHE (0.57) | CYP2D6PTPN1PTPN6PTPN11KMT2A | |
| SCHEMBL17088269 | 0.87 | POLB (0.61) | POLBCYP2D6PTPN1PTPN6PTPN11 | |
| SCHEMBL28548752 | 0.86 | POLB (0.64) | POLBCYP2D6PTPN1PTPN6PTPN11 | |
| SCHEMBL19272432 | 0.85 | ACHE (0.69) | PTPN1PTPN6PTPN11KMT2AMEN1 | |
| SCHEMBL9612273 | 0.82 | POLB (0.68) | POLBCYP2D6PTPN1PTPN6PTPN11 | |
| SCHEMBL13861833 | 0.82 | POLB (0.68) | POLBCYP2D6PTPN1PTPN6PTPN11 | |
| SCHEMBL13869758 | 0.82 | ACHE (0.75) | POLBKMT2AMEN1ACHEHSD17B10 | |
| SCHEMBL11898072 | 0.81 | CES1 (0.67) | POLBCYP2D6KMT2AMEN1ACHE | |
| SCHEMBL6563719 | 0.80 | POLB (1.00) | POLBCYP2D6KMT2AMEN1RAB9A |
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-108273478-B | Formaldehyde removal composition and product | 李怀玉 | 2021-03-02 | — | — | CN | disclosed |
| CN-108273478-A | A kind of formaldehyde removing composition and product | 李怀玉 | 2018-07-13 | — | — | CN | disclosed |