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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | STAT6 | P42226 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SCNN1A | P37088 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616267 | 0.95 | RAB9A (0.47) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8618940 | 0.84 | ADORA2A (0.44) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8617911 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8613364 | 0.82 | PIK3CA (0.47) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8617728 | 0.82 | RAB9A (0.43) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8616601 | 0.81 | RAB9A (0.47) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8615871 | 0.81 | ADORA2A (0.39) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8620636 | 0.81 | NPC1 (0.49) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8614039 | 0.80 | KDM4E (0.51) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8614069 | 0.80 | ADORA2A (0.44) | SMN1; SMN2ALDH1A1KDM4ELMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0726254-B1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS (JP) | 1998-05-06 | — | — | EP | disclosed |