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 | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 5/20 | 0.34 |
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.41 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.41 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | XPO1 | O14980 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 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 | |
|---|---|---|---|---|
| SCHEMBL28230551 | 1.00 | ACP1 (0.41) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL6551665 | 0.92 | XPO1 (0.38) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL5178541 | 0.92 | XPO1 (0.38) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL3256624 | 0.92 | XPO1 (0.38) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| Hydrochloric Acid SCHEMBL4564391 | 0.90 | XPO1 (0.37) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL7159599 | 0.86 | FFAR1 (0.39) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL20530516 | 0.82 | MAPT (0.41) | ACP1PTPN7PTPN12PTPN13SSU72 | |
| SCHEMBL8204855 | 0.76 | CES2 (0.48) | CES2NPSR1 | |
| SCHEMBL21986020 | 0.76 | CES2 (0.48) | CES2NPSR1 | |
| SCHEMBL2484825 | 0.73 | CYP2D6 (0.43) | ACP1PTPN7PTPN12PTPN13SSU72 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108368062-A | Nk1 receptor antagonists | 橘生药品工业株式会社 | 2018-08-03 | — | — | CN | disclosed |