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 | |
|---|---|---|---|---|
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 6/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9685896 | 0.86 | KMT2A (0.67) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL9686011 | 0.86 | KMT2A (0.67) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL9044442 | 0.86 | KMT2A (0.67) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| Tosufloxacin SCHEMBL27512285 | 0.80 | KMT2A (0.90) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| Esafloxacin SCHEMBL1344407 | 0.78 | LMNA (0.69) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL4575476 | 0.77 | KMT2A (0.69) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL13576371 | 0.77 | KMT2A (0.69) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL9838735 | 0.77 | KMT2A (0.69) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| Esafloxacin SCHEMBL1231132 | 0.77 | LMNA (0.68) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10652931 | 0.77 | KMT2A (0.68) | KMT2ALMNAKDM4EHSD17B10ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0447484-A1 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-09-25 | — | — | EP | claimed |
| WO-1990006307-A2 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1990-06-14 | — | — | WO | claimed |
| US-5385906-A | Treating gramnegative and grampositive bacterial infections | THE UPJOHN COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| US-5262417-A | Antibacterial quinolone compounds | THE UPJOHN COMPANY (US) | 1993-11-16 | — | — | US | disclosed |
| EP-0447484-A1 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-09-25 | — | — | EP | disclosed |
| WO-1990006307-A2 | ANTIBACTERIAL QUINOLONE COMPOUNDS | THE UPJOHN COMPANY (US) | 1990-06-14 | — | — | WO | disclosed |