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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 3/20 | 0.43 |
| ▸ | MMP7 | P09237 | 3/20 | 0.43 |
| ▸ | MMP12 | P39900 | 3/20 | 0.43 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | ACE | P12821 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL453579 | 0.88 | SLC2A1 (0.50) | POLBCA2KDM4EALDH1A1AOC3 | |
| SCHEMBL22570767 | 0.88 | SLC2A1 (0.50) | POLBCA2KDM4EALDH1A1AOC3 | |
| SCHEMBL4851319 | 0.88 | SLC2A1 (0.50) | POLBCA2KDM4EALDH1A1AOC3 | |
| Iodide SCHEMBL4740378 | 0.86 | SLC2A1 (0.49) | POLBCA2KDM4EALDH1A1AOC3 | |
| Hydrochloric Acid SCHEMBL2913067 | 0.86 | SLC2A1 (0.53) | POLBCA2KDM4EALDH1A1AOC3 | |
| SCHEMBL869237 | 0.82 | SLC2A1 (0.57) | CA2AOC3SLC2A1 | |
| SCHEMBL13132265 | 0.82 | SLC2A1 (0.57) | CA2AOC3SLC2A1 | |
| Hydrochloric Acid SCHEMBL4937477 | 0.80 | SLC2A1 (0.60) | CA2SLC2A1 | |
| SCHEMBL4990564 | 0.80 | SLC2A1 (0.60) | CA2NAAASLC2A1 | |
| SCHEMBL4080852 | 0.80 | SLC2A1 (0.60) | CA2NAAASLC2A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751767-A4 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE INC (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0751767-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1997-01-08 | — | — | EP | disclosed |