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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 8/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.44 |
| ▸ | ACP1 | P24666 | 1/20 | 0.42 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.42 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.42 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.42 |
| ▸ | CTSV | O60911 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6720917 | 0.94 | C5AR1 (0.47) | C5AR1CYP19A1ACP1PTPN12PTPN13 | |
| SCHEMBL8713982 | 0.88 | LMNA (0.47) | CTSVCTSLPPIA | |
| SCHEMBL6719790 | 0.81 | CTSV (0.44) | CTSVCTSLPPIA | |
| SCHEMBL6728185 | 0.81 | MEN1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL8714233 | 0.81 | CTSV (0.43) | CTSVCTSLPPIA | |
| SCHEMBL6728336 | 0.80 | C5AR1 (0.47) | C5AR1CYP19A1ACP1PTPN12PTPN13 | |
| SCHEMBL6722650 | 0.78 | KMT2A (0.41) | — | |
| SCHEMBL8718333 | 0.78 | NLRP3 (0.37) | — | |
| SCHEMBL6728111 | 0.76 | GAA (0.39) | — | |
| SCHEMBL8716379 | 0.75 | UBE2M (0.34) | — |
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 |