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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 5/20 | 0.38 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.36 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.38 |
| ▸ | HTR7 | P34969 | 3/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981562 | 0.93 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL6981384 | 0.93 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| SCHEMBL7811043 | 0.93 | DRD2 (0.43) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL6984757 | 0.92 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL6985847 | 0.92 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Bromide SCHEMBL7811677 | 0.92 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL7811763 | 0.92 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Bromide SCHEMBL7811682 | 0.92 | DRD2 (0.42) | DRD2SLC18A3HTR7CARM1PRMT6 | |
| Fumaric Acid SCHEMBL7802738 | 0.90 | SLC18A3 (0.37) | DRD2SLC18A3HTR7DRD4DRD3 | |
| Fumaric Acid SCHEMBL7802740 | 0.90 | SLC18A3 (0.37) | DRD2SLC18A3HTR7DRD4DRD3 |
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-0601547-B1 | Crystalline salts of optically active aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-09-12 | — | — | EP | disclosed |
| EP-0601547-A1 | Crystalline salts of optically active aminocoumaran derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-06-15 | — | — | EP | disclosed |