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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324994 | 0.96 | ELANE (0.41) | ELANECA2CYP3A4LMNAACHE | |
| SCHEMBL8322215 | 0.93 | ELANE (0.50) | ELANECA2CYP3A4LMNAACHE | |
| SCHEMBL8325529 | 0.89 | ELANE (0.36) | ELANECA2CYP3A4ACHEBCHE | |
| SCHEMBL8321674 | 0.89 | ELANE (0.36) | ELANECA2CYP3A4ACHEBCHE | |
| SCHEMBL8648952 | 0.89 | ELANE (0.38) | ELANECA2CYP3A4LMNAACHE | |
| SCHEMBL8322200 | 0.89 | ELANE (0.46) | ELANECA2CYP3A4LMNAACHE | |
| SCHEMBL13131239 | 0.89 | ELANE (0.46) | ELANECA2CYP3A4LMNAACHE | |
| SCHEMBL8647994 | 0.88 | ELANE (0.37) | ELANECA2CYP3A4LMNAMMP13 | |
| SCHEMBL8643877 | 0.86 | ELANE (0.36) | ELANECA2CYP3A4ACHEBCHE | |
| SCHEMBL8646162 | 0.85 | CYP3A4 (0.36) | ELANECA2CYP3A4LMNAACHE |
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 |