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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 4/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 12/20 | 0.61 |
| ▸ | KLK1 | P06870 | 6/20 | 0.61 |
| ▸ | TMPRSS2 | O15393 | 2/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | HPN | P05981 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.48 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.48 |
| ▸ | TMPRSS15 | P98073 | 8/20 | 0.43 |
| ▸ | ACR | P10323 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11417275 | 0.78 | PRSS1 (0.67) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL11305428 | 0.77 | PRSS1 (0.56) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL1649708 | 0.76 | PRSS1 (1.00) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| Camostat SCHEMBL871583 | 0.73 | PRSS1 (0.72) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL11309396 | 0.72 | PRSS1 (0.52) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| Camostat SCHEMBL29376746 | 0.71 | PRSS1 (1.00) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL4752930 | 0.71 | PRSS1 (0.61) | PRSS1KLK1TMPRSS2PRSS2PRSS3 | |
| SCHEMBL15571972 | 0.70 | PRSS1 (0.70) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL7315839 | 0.69 | PRSS1 (0.46) | PRSS1KLK1F2TMPRSS2PRSS2 | |
| SCHEMBL21920058 | 0.69 | PRSS1 (0.74) | PRSS1KLK1F2TMPRSS2PRSS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115737595-A | ACE2 engineered cell membrane drug-loaded nanoparticle, and preparation method and application thereof | 深圳先进技术研究院 | 2023-03-07 | — | — | CN | disclosed |
| CN-111349021-B | Carmostat mesylate crystal form and preparation method and application thereof | 北京亦度正康健康科技有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-111349021-A | Carmostat mesylate crystal form and preparation method and application thereof | 南京长澳医药科技有限公司 | 2020-06-30 | — | — | CN | disclosed |