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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 6/20 | 0.58 |
| ▸ | HTR2A known ✓ | P28223 | 5/20 | 0.58 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.58 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.58 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | HTR7 | P34969 | 2/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689569 | 0.91 | KCNH2 (0.74) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL9492781 | 0.86 | KCNH2 (0.69) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL4519313 | 0.84 | KCNH2 (0.85) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL26107525 | 0.84 | KCNH2 (0.85) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL26108725 | 0.84 | KCNH2 (0.85) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| Hydrochloric Acid SCHEMBL26108256 | 0.83 | KCNH2 (0.83) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL9689120 | 0.82 | KCNH2 (0.62) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL27715352 | 0.80 | KCNH2 (0.74) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| SCHEMBL2522222 | 0.80 | POLB (0.64) | KCNH2HTR1AHTR2ADRD3DRD2 | |
| Hydrochloric Acid SCHEMBL2517441 | 0.79 | POLB (0.62) | KCNH2HTR1AHTR2ADRD3DRD2 |
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-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |