Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Guanidine. 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 | |
|---|---|---|---|---|
| ▸ | ICAM1 | P05362 | 2/20 | 0.44 |
| ▸ | SELE | P16581 | 2/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 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 | |
|---|---|---|---|---|
| Guanidine SCHEMBL8687979 | 0.90 | MAPT (0.42) | KDM4EGAAMAPTMEN1KMT2A | |
| SCHEMBL9146163 | 0.89 | KDM4E (0.48) | ICAM1SELEVCAM1KDM4EGAA | |
| SCHEMBL9144156 | 0.83 | ICAM1 (0.55) | ICAM1SELEVCAM1KDM4EGAA | |
| SCHEMBL9537227 | 0.81 | L3MBTL1 (0.49) | ICAM1SELEVCAM1KDM4EGAA | |
| SCHEMBL9146301 | 0.80 | ICAM1 (0.58) | ICAM1SELEVCAM1KDM4EGAA | |
| Guanidine SCHEMBL8690524 | 0.78 | ABCB11 (0.39) | KDM4EMAPTKMT2AALDH1A1HPGD | |
| SCHEMBL9144495 | 0.73 | KDM4E (0.58) | ICAM1SELEVCAM1KDM4EGAA | |
| SCHEMBL9146029 | 0.73 | EDNRA (0.59) | MEN1KMT2ANPC1L3MBTL1 | |
| SCHEMBL9141602 | 0.72 | KDM4E (0.53) | ICAM1SELEVCAM1KDM4EGAA | |
| SCHEMBL9539011 | 0.71 | MPO (0.44) | ICAM1SELEVCAM1MAPTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852046-A | Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | disclosed |