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.
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 | |
|---|---|---|---|---|
| SCHEMBL2301140 | 0.91 | — | — | |
| SCHEMBL28317685 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL7644847 | 0.83 | — | — | |
| SCHEMBL18264400 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7406592 | 0.77 | — | — | |
| SCHEMBL5809042 | 0.73 | NR4A2 (0.39) | — | |
| SCHEMBL2299291 | 0.70 | — | — | |
| SCHEMBL30843790 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL1008140 | 0.68 | — | — | |
| SCHEMBL27342989 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-03-07 | — | — | US | claimed |
| US-20130059774-A1 | EFFLUX PUMP INHIBITORS | PATEL MAHESH VITHALBHAI (IN) | 2013-03-07 | — | — | US | disclosed |
| EP-2536408-A1 | EFFLUX PUMP INHIBITORS | Wockhardt Research Centre (IN) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101710-A1 | EFFLUX PUMP INHIBITORS | WOCKHARDT RESEARCH CENTRE (IN) | 2011-08-25 | — | — | WO | disclosed |