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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8322205 | 0.94 | ELANE (0.44) | ELANEHSP90AA1HSP90AB1CA2PTGS2 | |
| SCHEMBL8648388 | 0.89 | PTGS2 (0.37) | ELANECA2PTGS2AKR1C4AKR1C3 | |
| SCHEMBL8323471 | 0.86 | ELANE (0.48) | ELANEHSP90AA1HSP90AB1CA2PTPRC | |
| SCHEMBL8319591 | 0.84 | PTPN1 (0.45) | PTPRC | |
| SCHEMBL8322047 | 0.79 | ELANE (0.54) | ELANEHSP90AA1HSP90AB1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL7122599 | 0.79 | ELANE (0.45) | ELANEHSP90AA1HSP90AB1CA2 | |
| SCHEMBL8322919 | 0.77 | ADORA2A (0.37) | HSP90AA1HSP90AB1SLC9A1AKR1C4AKR1C3 | |
| SCHEMBL8318362 | 0.77 | PTPN1 (0.47) | PTGS2PTPRCRXRARXRB | |
| SCHEMBL8320388 | 0.76 | PTGS2 (0.39) | PTGS2SLC9A1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8643865 | 0.75 | ELANE (0.41) | ELANECA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5880169-A | HAVING HIGH RESOLUTION FOR FINE PATTERNING | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-03-09 | — | — | US | disclosed |