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 | 4/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.44 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293956 | 0.89 | PPARA (0.52) | PPARASOAT1 | |
| SCHEMBL5659211 | 0.88 | KMT2A (0.47) | KMT2APTGS2DPP4FOLH1PTGER1 | |
| Bicarbonate SCHEMBL1835067 | 0.87 | PPARA (0.56) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| SCHEMBL607543 | 0.87 | DPP4 (0.56) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| SCHEMBL27806648 | 0.85 | PPARA (0.50) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| Hydrochloric Acid SCHEMBL30641921 | 0.85 | DPP4 (0.54) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| Phosphoric Acid SCHEMBL14829855 | 0.84 | PPARA (0.50) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| Boric Acid SCHEMBL29391822 | 0.84 | PPARA (0.49) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| SCHEMBL10798302 | 0.83 | DPP4 (0.52) | PPARAKMT2ADPP4FOLH1PTGER1 | |
| SCHEMBL14842017 | 0.83 | PPARA (0.47) | PPARAPTGS2PTGER1PTGER4PTGER3 |
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-109661399-A | Cross-coupling methods | 芝诺罗耶尔蒂里程碑有限责任公司 | 2019-04-19 | — | — | CN | disclosed |