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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 4/20 | 0.67 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.67 |
| ▸ | PTPN11 | Q06124 | 11/20 | 0.48 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | FURIN | P09958 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL132945 | 0.93 | SCN2A (0.77) | SCN2AKCNK2PTPN11SCN9A | |
| Sipatrigine SCHEMBL5069235 | 0.89 | SCN2A (0.85) | SCN2AKCNK2PTPN11SCN10ASCN9A | |
| SCHEMBL7278654 | 0.87 | SCN2A (0.74) | SCN2AKCNK2PTPN11SCN9A | |
| SCHEMBL7272688 | 0.85 | SCN2A (0.77) | SCN2AKCNK2PTPN11SCN10ASCN9A | |
| Sipatrigine SCHEMBL135888 | 0.81 | SCN2A (1.00) | SCN2AKCNK2PTPN11 | |
| Sipatrigine SCHEMBL29421474 | 0.81 | SCN2A (1.00) | SCN2AKCNK2PTPN11 | |
| SCHEMBL7271335 | 0.78 | PTPN11 (0.63) | SCN2AKCNK2PTPN11SCN10ASCN9A | |
| SCHEMBL7271253 | 0.77 | KCNK2 (0.67) | SCN2AKCNK2PTPN11 | |
| SCHEMBL7273370 | 0.76 | SCN2A (0.77) | SCN2AKCNK2PTPN11SCN10ASCN9A | |
| SCHEMBL8576787 | 0.74 | SCN2A (0.74) | SCN2AKCNK2PTPN11 |
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-0459819-B1 | Pharmacologically active CNS compound | WELLCOME FOUND (GB) | 1996-08-14 | — | — | EP | claimed |
| EP-0459819-B1 | Pharmacologically active CNS compound | WELLCOME FOUND (GB) | 1996-08-14 | — | — | EP | disclosed |
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | disclosed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |