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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 3/20 | 0.49 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8089145 | 0.79 | SLC9A1 (0.39) | SLC9A1SLC9A2TSHRERCC1ERCC4 | |
| SCHEMBL8004812 | 0.79 | KCNQ3 (0.42) | CA1CA2 | |
| SCHEMBL8097928 | 0.72 | SLC9A1 (0.53) | SLC9A1SLC9A2 | |
| SCHEMBL27524440 | 0.72 | SLC9A1 (0.40) | SLC9A1SLC9A2CA1CA2 | |
| SCHEMBL8007038 | 0.70 | SLC9A1 (0.48) | SLC9A1SLC9A2CA1CA2F10 | |
| Hydrochloric Acid SCHEMBL8004966 | 0.70 | SLC9A1 (0.47) | SLC9A1SLC9A2CA1CA2F10 | |
| SCHEMBL8007941 | 0.69 | SLC9A1 (0.49) | SLC9A1SLC9A2CA1CA2CA7 | |
| SCHEMBL3972067 | 0.69 | SLC9A1 (0.60) | SLC9A1SLC9A2F10PRSS1PRSS2 | |
| SCHEMBL8097379 | 0.68 | SLC9A1 (0.50) | SLC9A1SLC9A2 | |
| SCHEMBL3973208 | 0.68 | SLC9A1 (0.54) | SLC9A1SLC9A2F10PRSS1PRSS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0748795-B1 | Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them | HOECHST AG (DE) | 2000-08-23 | — | — | EP | claimed |
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | claimed |
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| US-5753710-A | INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-19 | — | — | US | disclosed |