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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.69 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.64 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065260 | 1.00 | CXCR2 (0.69) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL4414662 | 0.96 | CXCR2 (0.66) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL252024 | 0.96 | CXCR2 (0.66) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL245190 | 0.83 | CXCR2 (0.69) | CXCR2CXCR1AKR1C3AKR1C2APP | |
| SCHEMBL1820095 | 0.83 | CXCR2 (0.69) | CXCR2CXCR1AKR1C3AKR1C2APP | |
| SCHEMBL1345636 | 0.83 | CXCR2 (0.69) | CXCR2CXCR1AKR1C3AKR1C2APP | |
| SCHEMBL2338983 | 0.82 | CXCR2 (0.60) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL2338978 | 0.82 | CXCR2 (0.60) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL13460874 | 0.82 | CXCR2 (0.60) | CXCR2CXCR1EPHX1CA1CA2 | |
| SCHEMBL1822574 | 0.82 | CXCR2 (0.68) | CXCR2CXCR1CA1CA2CA9 |
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-105722972-A | Cellular factors involved in the cytotoxicity of leukocidins of staphylococcus aureus: novel therapeutic target | 纽约大学 | 2016-06-29 | — | — | CN | disclosed |