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 | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6724454 | 0.95 | NLRP3 (0.38) | NLRP3NR1H4IKBKBPPARGPPARA | |
| SCHEMBL6727991 | 0.82 | NLRP3 (0.36) | NLRP3NR1H4IKBKBPPARGPPARA | |
| SCHEMBL4984345 | 0.81 | NR1H4 (0.46) | NLRP3NR1H4IKBKBPPARGPPARA | |
| SCHEMBL8713982 | 0.80 | LMNA (0.47) | NR1H4SIRT2MEN1KMT2ALMNA | |
| SCHEMBL6727475 | 0.79 | HDAC3 (0.40) | NLRP3TRPV1MAPK14 | |
| SCHEMBL6728263 | 0.79 | MAPT (0.40) | NLRP3NR1H4MAPK14MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8712863 | 0.78 | HDAC3 (0.39) | NLRP3TRPV1MAPK14 | |
| SCHEMBL8715877 | 0.78 | C5AR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8717111 | 0.78 | MAPT (0.39) | NLRP3MAPK14MEN1ALDH1A1KMT2A | |
| SCHEMBL4986791 | 0.75 | NR1H4 (0.48) | NLRP3NR1H4IKBKBPPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| US-5847006-A | Therapeutic guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0746316-A4 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE INC (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0746316-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995014467-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1995-06-01 | — | — | WO | disclosed |