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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.59 |
| ▸ | CA1 | P00915 | 7/20 | 0.59 |
| ▸ | CA2 | P00918 | 7/20 | 0.59 |
| ▸ | CA9 | Q16790 | 7/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617805 | 0.94 | CA12 (0.59) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8616004 | 0.88 | KDM4E (0.61) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8619386 | 0.87 | LMNA (0.52) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8613739 | 0.84 | ALDH1A1 (0.51) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8614078 | 0.84 | ALDH1A1 (0.64) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8613846 | 0.83 | KDM4E (0.67) | MAPTCYP2C9ALDH1A1HSD17B10POLB | |
| SCHEMBL8616313 | 0.83 | CYP3A4 (0.54) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8617908 | 0.82 | MEN1 (0.55) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8615781 | 0.82 | CA12 (0.44) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8615678 | 0.82 | ESR1 (0.54) | MAPTCYP2C9ALDH1A1HPGDHSD17B10 |
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 |