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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.34 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7852422 | 0.95 | POLB (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL8695363 | 0.94 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Bromide SCHEMBL8693293 | 0.94 | ALDH1A1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8699549 | 0.91 | ALDH1A1 (0.40) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7841322 | 0.90 | ALDH1A1 (0.33) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL8693112 | 0.90 | ALDH1A1 (0.36) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851071 | 0.87 | ALDH1A1 (0.37) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7851419 | 0.87 | ALDH1A1 (0.41) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7853917 | 0.85 | TOP2A (0.42) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL7852426 | 0.85 | ALDH1A1 (0.35) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5811433-A | ANTIMICROBIALS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-09-22 | — | — | US | disclosed |