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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.37 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9018653 | 0.81 | KCNQ3 (0.40) | KCNQ3KCNQ2CA2CA4MAPK14 | |
| SCHEMBL8004004 | 0.76 | KCNQ3 (0.39) | KCNQ3KCNQ2CA2CA4P2RX4 | |
| SCHEMBL7995263 | 0.76 | SLC6A4 (0.48) | KCNQ3KCNQ2CA2CA4CYP2D6 | |
| SCHEMBL9018656 | 0.76 | POLB (0.37) | CA2CA4P2RX4L3MBTL1CYP2D6 | |
| SCHEMBL9018660 | 0.75 | POLB (0.33) | KCNQ3KCNQ2CA2CA4P2RX4 | |
| SCHEMBL8004814 | 0.71 | CTSD (0.36) | KCNQ3KCNQ2CA2CA4 | |
| SCHEMBL8499411 | 0.70 | GCK (0.42) | GAA | |
| SCHEMBL9018671 | 0.70 | TTR (0.38) | KCNQ3KCNQ2CA2F2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8743784 | 0.70 | GCK (0.42) | GAA | |
| SCHEMBL8004007 | 0.68 | C5AR1 (0.37) | KCNQ3KCNQ2CA2CA4P2RX4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |