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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.33 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 5/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9545547 | 0.80 | POLB (0.36) | POLBLMNAALDH1A1KDM4EPRNP | |
| SCHEMBL9545374 | 0.75 | MAPT (0.34) | LMNASMN1; SMN2MAPT | |
| SCHEMBL9545434 | 0.74 | NPC1 (0.36) | LMNAALDH1A1KDM4ENPSR1HPGD | |
| SCHEMBL10744794 | 0.70 | HTR7 (0.42) | HTR7HTR1ADRD2HTR2AKMT2A | |
| SCHEMBL9545606 | 0.63 | HTR7 (0.35) | HTR7HTR1ADRD2HTR2A | |
| SCHEMBL10740372 | 0.63 | CNR2 (0.47) | POLBLMNAALDH1A1KDM4EPRNP | |
| SCHEMBL22179679 | 0.62 | HSD17B10 (0.48) | POLBLMNAALDH1A1KDM4EKMT2A | |
| SCHEMBL10824660 | 0.62 | FFAR4 (0.37) | ALDH1A1PRNPNPSR1RXFP1MAPK10 | |
| SCHEMBL32665293 | 0.62 | — | — | |
| SCHEMBL17158497 | 0.60 | P2RX7 (0.47) | POLBLMNAALDH1A1PRNPNPSR1 |
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-1993021150-A2 | ARTHROPODICIDAL ARYL SULFONATES | DUNLENA PTY. LTD. (AU) | 1993-10-28 | — | — | WO | disclosed |