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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 4/20 | 0.38 |
| ▸ | CCR5 | P51681 | 4/20 | 0.39 |
| ▸ | TACR2 | P21452 | 10/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571640 | 0.90 | TACR2 (0.44) | TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8569245 | 0.86 | CCR5 (0.50) | CCR5TACR1TACR2 | |
| SCHEMBL8574144 | 0.86 | TACR2 (0.38) | CCR5TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8570007 | 0.84 | TACR1 (0.53) | CCR5TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8661721 | 0.84 | TACR1 (0.53) | CCR5TACR1TACR2 | |
| SCHEMBL8570738 | 0.83 | TACR2 (0.43) | TACR1TACR2 | |
| SCHEMBL8568962 | 0.81 | TACR2 (0.42) | TACR1TACR2 | |
| SCHEMBL8574717 | 0.81 | TACR2 (0.42) | TACR1TACR2 | |
| SCHEMBL8568960 | 0.81 | TACR2 (0.42) | TACR1TACR2 | |
| SCHEMBL8567378 | 0.80 | TACR2 (0.39) | TACR1TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998007722-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST | PFIZER LIMITED (GB) | 1998-02-26 | — | — | WO | disclosed |