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 | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.51 |
| ▸ | TACR3 | P29371 | 9/20 | 0.42 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8615313 | 0.96 | PDE10A (0.54) | PDE10ATACR3ACACATACR2TSHR | |
| SCHEMBL8617941 | 0.90 | PDE10A (0.64) | PDE10AACACAMEN1ALDH1A1KMT2A | |
| SCHEMBL8617709 | 0.85 | PDE10A (0.69) | PDE10AACACAMEN1ALDH1A1KMT2A | |
| SCHEMBL8615931 | 0.85 | PDE10A (0.51) | PDE10ATACR3ACACATACR2TSHR | |
| SCHEMBL8620105 | 0.83 | PDE10A (0.45) | PDE10ATACR3MEN1ALDH1A1KMT2A | |
| SCHEMBL8613361 | 0.83 | KDM4E (0.52) | PDE10ATSHRMEN1ALDH1A1KMT2A | |
| SCHEMBL8617908 | 0.82 | MEN1 (0.55) | PDE10AMEN1ALDH1A1KMT2AKDM4E | |
| SCHEMBL8615321 | 0.81 | PDE10A (0.54) | PDE10ATACR3ACACATACR2TSHR | |
| SCHEMBL8613515 | 0.81 | PDE10A (0.76) | PDE10AALDH1A1KDM4EHSD17B10CCR6 | |
| SCHEMBL8620680 | 0.81 | ALDH1A1 (0.54) | PDE10AACACAMEN1ALDH1A1KMT2A |
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 |