Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27980259 | 0.87 | GAA (0.43) | GAACYP2D6TSHRMEN1LMNA | |
| SCHEMBL12220240 | 0.85 | GAA (0.60) | GAATSHRKMT2ASMN1; SMN2 | |
| SCHEMBL28276829 | 0.85 | CYP2D6 (0.36) | GAACYP2D6MAPK1TSHRMEN1 | |
| Acetic Acid SCHEMBL27980670 | 0.84 | GAA (0.50) | GAAMAPK1SMN1; SMN2POLB | |
| Iodide SCHEMBL2193919 | 0.83 | GAA (0.58) | GAATSHRKMT2ASMN1; SMN2POLB | |
| SCHEMBL27980063 | 0.83 | GAA (0.46) | GAATSHRMEN1LMNAKMT2A | |
| Biphenyl SCHEMBL21462355 | 0.76 | ALDH1A1 (0.53) | GAATSHRSMN1; SMN2PTGS2KEAP1 | |
| SCHEMBL27483186 | 0.74 | ALDH1A1 (0.50) | GAATSHRSMN1; SMN2PTGS2KEAP1 | |
| Biphenyl SCHEMBL8018321 | 0.74 | ALDH1A1 (0.50) | GAATSHRSMN1; SMN2PTGS2KEAP1 | |
| SCHEMBL27615436 | 0.70 | PTGS2 (0.65) | MEN1LMNAKMT2ASMN1; SMN2PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415452-A | The method for preparing highly reactive isobutylene homo or copolymer | 巴斯夫欧洲公司 | 2019-03-01 | — | — | CN | disclosed |