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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL6721185 | 0.94 | SIGMAR1 (0.56) | SIGMAR1IDH1PTGER3DHODHMEN1 | |
| SCHEMBL7208673 | 0.93 | DHODH (0.46) | SIGMAR1IDH1PTGER3DHODHGAA | |
| Hydrochloric Acid SCHEMBL7201825 | 0.93 | SIGMAR1 (0.57) | SIGMAR1PTGER3DHODHMEN1KMT2A | |
| SCHEMBL6719831 | 0.86 | SIGMAR1 (0.49) | SIGMAR1PTGER3DHODHGAAMAPT | |
| Hydrochloric Acid SCHEMBL7207034 | 0.85 | SIGMAR1 (0.51) | SIGMAR1PTGER3DHODHGAAMAPT | |
| SCHEMBL6724447 | 0.83 | SIGMAR1 (0.49) | SIGMAR1PTGER3DHODHGAAMAPT | |
| Hydrochloric Acid SCHEMBL7206854 | 0.82 | SIGMAR1 (0.51) | SIGMAR1PTGER3DHODHGAA | |
| SCHEMBL6720729 | 0.81 | SIGMAR1 (0.46) | SIGMAR1PTGER3DHODHGAAMAPT | |
| SCHEMBL6720532 | 0.81 | SIGMAR1 (0.49) | SIGMAR1PTGER3DHODHGAAMAPT | |
| SCHEMBL6719816 | 0.81 | SIGMAR1 (0.48) | SIGMAR1PTGER3DHODHGAAMAPT |
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-0705100-B1 | THERAPEUTIC SUBSTITUTED GUANIDINES | CENES LTD (GB) | 2003-07-30 | — | — | EP | disclosed |
| US-6156741-A | Therapeutic substituted guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-12-05 | — | — | US | disclosed |
| US-6153604-A | Therapeutic substituted guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-11-28 | — | — | US | disclosed |
| US-6147063-A | NEUROTOXICITY | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-11-14 | — | — | US | disclosed |