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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4458153 | 1.00 | KCNH2 (0.77) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL13963485 | 0.97 | KCNH2 (0.82) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL13946555 | 0.87 | KCNH2 (1.00) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL4023270 | 0.86 | KCNH2 (0.98) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL4027122 | 0.85 | KCNH2 (0.73) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL6528801 | 0.84 | KCNH2 (0.72) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL6527762 | 0.83 | KCNH2 (0.71) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL6526859 | 0.83 | KCNH2 (0.70) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL6370782 | 0.82 | KCNH2 (0.78) | KCNH2CYP3A4KDM4EHPGDALDH1A1 | |
| SCHEMBL6527476 | 0.81 | KCNH2 (0.81) | KCNH2CYP3A4KDM4EHPGDALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482454-B2 | Antimicrobial quinolones, their compositions, and uses | THE PROCTER & GAMBLE COMPANY (US) | 2009-01-27 | — | — | US | disclosed |
| US-20060100436-A1 | Antimicrobial quinolones, their compositions, and uses | WARNER CHILCOTT COMPANY, LLC | 2006-05-11 | — | — | US | disclosed |
| US-6329391-B1 | ANTIBIOTICS, BACTERICIDES USING QUINOLONES | THE PROCTER & GAMBLE CO. | 2001-12-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060100436-A1 | Antimicrobial quinolones, their compositions, and uses | Q6ZSR9, RECQL, QARS1 | KCNH2 1112/4885CYP3A4 185/4885KDM4E 2599/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.