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 | 0.65 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.65 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | HPGD | P15428 | 3/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.72 |
| ▸ | XBP1 | P17861 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.72 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.72 |
| ▸ | RELA | Q04206 | 1/20 | 0.72 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.65 |
| ▸ | GSK3B | P49841 | 1/20 | 0.65 |
| ▸ | RARB | P10826 | 1/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | DPP4 | P27487 | 6/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL41135 | 1.00 | LMNA (0.72) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL13576349 | 0.97 | EPHA2 (0.68) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL140568 | 0.97 | EPHA2 (0.68) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL8186971 | 0.90 | LMNA (0.73) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL29389843 | 0.90 | LMNA (0.73) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL41134 | 0.90 | LMNA (0.73) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL9735079 | 0.88 | EPHA2 (0.74) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL140567 | 0.86 | EPHA2 (0.69) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL29493446 | 0.86 | EPHA2 (0.69) | LMNAKDM4EHSD17B10ALDH1A1HPGD | |
| Alatrofloxacin SCHEMBL7101443 | 0.86 | EPHA2 (0.69) | LMNAKDM4EHSD17B10ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080756-A | A MONOHYDRATE POLYMORPH PII.M CONVERTED TO THE PSEUDOMORPH PII.PS BY VACUUM DRYING; QUINOLONE ANTIBIOTICS; BACTERICIDES, ESPECIALLY EFFECTIVE AGAINST GRAMPOSITIVE BACTERIA | PFIZER INC. (US) | 2000-06-27 | — | — | US | disclosed |
| WO-1997008191-A1 | POLYMORPHS OF THE PRODRUG 6-N-(L-ALA-L-ALA)-TROVAFLOXACIN | PFIZER INC. (US) | 1997-03-06 | — | — | WO | disclosed |